2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide

C17H19N3O2S — CID 60594664

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCCn1c(SCC(=O)NC(C)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-3-20-14-8-5-4-7-13(14)19-17(20)23-11-16(21)18-12(2)15-9-6-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)
InChIKeyYXQRPQUNNNNNOK-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.62
Rot. Bonds6

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 60594664) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID60594664
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCCn1c(SCC(=O)NC(C)c2ccco2)nc2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-3-20-14-8-5-4-7-13(14)19-17(20)23-11-16(21)18-12(2)15-9-6-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,21)
InChIKeyYXQRPQUNNNNNOK-UHFFFAOYSA-N
XLogP3.62
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
CID 42891361
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
N-[(1S)-1-(furan-2-yl)ethyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 40682459
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60594600
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 8807414
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8807588
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 60601044
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60554948

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide (CID 60594664) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide is CCn1c(SCC(=O)NC(C)c2ccco2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is YXQRPQUNNNNNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-20-14-8-5-4-7-13(14)19-17(20)23-11-16(21)18-12(2)15-9-6-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 60594664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).