N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide

C18H12ClN3OS — CID 7755226

IUPACN-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C18H12ClN3OS/c19-14-7-5-13(10-20)16(9-14)21-17(23)11-24-18-8-6-12-3-1-2-4-15(12)22-18/h1-9H,11H2,(H,21,23)
InChIKeyWTAKFWCPKSDICS-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.49
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide

N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755226) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755226
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C18H12ClN3OS/c19-14-7-5-13(10-20)16(9-14)21-17(23)11-24-18-8-6-12-3-1-2-4-15(12)22-18/h1-9H,11H2,(H,21,23)
InChIKeyWTAKFWCPKSDICS-UHFFFAOYSA-N
XLogP4.49
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 134025568
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 3939982
N-(2,5-dichlorophenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 39765768
N-(5-chloro-2-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 21382912
N-(5-chloro-2-cyanophenyl)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
CID 78830896
N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 78765671
N-(5-chloro-2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 21383075
N-[5-chloro-2-(trifluoromethyl)phenyl]-3-quinolin-2-ylsulfanylpropanamide
CID 39765776
N-(5-chloro-2-cyanophenyl)-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21381111

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide (CID 7755226) is N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide is N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is WTAKFWCPKSDICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-14-7-5-13(10-20)16(9-14)21-17(23)11-24-18-8-6-12-3-1-2-4-15(12)22-18/h1-9H,11H2,(H,21,23).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 353.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).