A1CUR

N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide

Created:	2025-09-19
Last modified:	2026-02-18

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1 entries where A1CUR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	11

2D diagram of A1CUR

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Chemical Component Summary
Name	N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
Formula	C₁₄ H₁₅ N O₂ S
Molecular Weight	261.339
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(NCCSCc1ccco1)c1ccccc1
SMILES	CACTVS	3.385	O=C(NCCSCc1occc1)c2ccccc2
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)C(=O)NCCSCc2ccco2
Canonical SMILES	CACTVS	3.385	O=C(NCCSCc1occc1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)C(=O)NCCSCc2ccco2
InChI	InChI	1.06	InChI=1S/C14H15NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h1-7,9H,8,10-11H2,(H,15,16)
InChIKey	InChI	1.06	QLVJAPWKBRXUOG-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.