N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide

C20H20N4OS — CID 7246599

IUPACN-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
SMILESCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H20N4OS/c1-2-23-18-12-7-6-11-17(18)22-20(23)26-15-19(25)24(14-8-13-21)16-9-4-3-5-10-16/h3-7,9-12H,2,8,14-15H2,1H3
InChIKeyJMIPIIAEVRQYJO-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.10
Rot. Bonds7

About N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide

N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 7246599) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
PubChem CID7246599
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide
SMILESCCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H20N4OS/c1-2-23-18-12-7-6-11-17(18)22-20(23)26-15-19(25)24(14-8-13-21)16-9-4-3-5-10-16/h3-7,9-12H,2,8,14-15H2,1H3
InChIKeyJMIPIIAEVRQYJO-UHFFFAOYSA-N
XLogP4.10
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-[3-[2-[di(propan-2-yl)amino]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 16541317
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 2088074
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
N-(2-cyanoethyl)-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 51329460
N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
CID 84601919
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide
CID 16510043
N-ethyl-N-phenyl-2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
CID 46347470
N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2116332
N-(2-cyanoethyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 46660981
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 4811716
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510943

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide (CID 7246599) is N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide is CCn1c(SCC(=O)N(CCC#N)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is JMIPIIAEVRQYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-2-23-18-12-7-6-11-17(18)22-20(23)26-15-19(25)24(14-8-13-21)16-9-4-3-5-10-16/h3-7,9-12H,2,8,14-15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide?
N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 364.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 7246599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).