2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide

C24H17N3OS — CID 175299587

IUPAC2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
SMILESN#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H17N3OS/c25-15-20-14-19-8-4-5-9-22(19)27-24(20)29-16-23(28)26-21-12-10-18(11-13-21)17-6-2-1-3-7-17/h1-14H,16H2,(H,26,28)
InChIKeyGAJQDMKFSSEHDY-UHFFFAOYSA-N
MW395.49 g/mol
LogP5.50
Rot. Bonds5

About 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide

2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide (PubChem CID 175299587) has the molecular formula C24H17N3OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
PubChem CID175299587
Molecular FormulaC24H17N3OS
Molecular Weight395.49 g/mol
Exact Mass395.11
IUPAC Name2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide
SMILESN#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H17N3OS/c25-15-20-14-19-8-4-5-9-22(19)27-24(20)29-16-23(28)26-21-12-10-18(11-13-21)17-6-2-1-3-7-17/h1-14H,16H2,(H,26,28)
InChIKeyGAJQDMKFSSEHDY-UHFFFAOYSA-N
XLogP5.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanoquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 1433839
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 43812159
N-(4-acetylphenyl)-2-(3-cyano-6-ethylquinolin-2-yl)sulfanylacetamide
CID 3207542
methyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1151265
2-[4-[[2-[[3-cyano-5-methyl-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 21169240
2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 689229
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
methyl 4-[[2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 43812149
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 911685
2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 3207775
ethyl 4-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 995334

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide (CID 175299587) is 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide is N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide?
The InChIKey is GAJQDMKFSSEHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3OS/c25-15-20-14-19-8-4-5-9-22(19)27-24(20)29-16-23(28)26-21-12-10-18(11-13-21)17-6-2-1-3-7-17/h1-14H,16H2,(H,26,28).
What are the key properties of 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide?
2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide has a molecular weight of 395.49 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoquinolin-2-yl)sulfanyl-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 175299587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).