N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide

C20H16ClN3OS — CID 1207078

IUPACN-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)c(C#N)cc2c1
InChIInChI=1S/C20H16ClN3OS/c1-12-3-6-17-14(7-12)8-15(10-22)20(24-17)26-11-19(25)23-18-9-16(21)5-4-13(18)2/h3-9H,11H2,1-2H3,(H,23,25)
InChIKeyUNOFOUOUHATBCL-UHFFFAOYSA-N
MW381.89 g/mol
LogP5.11
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1207078) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1207078
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)c(C#N)cc2c1
InChIInChI=1S/C20H16ClN3OS/c1-12-3-6-17-14(7-12)8-15(10-22)20(24-17)26-11-19(25)23-18-9-16(21)5-4-13(18)2/h3-9H,11H2,1-2H3,(H,23,25)
InChIKeyUNOFOUOUHATBCL-UHFFFAOYSA-N
XLogP5.11
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 1373542
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 3207807
2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1207153
6-methyl-2-(2-oxopropylsulfanyl)quinoline-3-carbonitrile
CID 865643
N-(2-chlorophenyl)-2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetamide
CID 1076923
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 3207500
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 3207512
N-butan-2-yl-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide
CID 3207501
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 134025568
2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1105343

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide (CID 1207078) is N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)c(C#N)cc2c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is UNOFOUOUHATBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-12-3-6-17-14(7-12)8-15(10-22)20(24-17)26-11-19(25)23-18-9-16(21)5-4-13(18)2/h3-9H,11H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 381.89 g/mol, XLogP of 5.11, 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-methylphenyl)-2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1207078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).