2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

C25H22N2O2S — CID 3557418

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2S/c1-17-16-24(27-23-11-7-6-10-22(17)23)30-18(2)25(28)26-19-12-14-21(15-13-19)29-20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H,26,28)
InChIKeyKIGLQLJCRKNOPQ-UHFFFAOYSA-N
MW414.53 g/mol
LogP6.45
Rot. Bonds6

About 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide (PubChem CID 3557418) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
PubChem CID3557418
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C25H22N2O2S/c1-17-16-24(27-23-11-7-6-10-22(17)23)30-18(2)25(28)26-19-12-14-21(15-13-19)29-20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H,26,28)
InChIKeyKIGLQLJCRKNOPQ-UHFFFAOYSA-N
XLogP6.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide
CID 46302008
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272488
(2R)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41041760
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-(4-ethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 46301803
2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
CID 46367328
N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
CID 42947736

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide (CID 3557418) is 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide is Cc1cc(SC(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The InChIKey is KIGLQLJCRKNOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-17-16-24(27-23-11-7-6-10-22(17)23)30-18(2)25(28)26-19-12-14-21(15-13-19)29-20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H,26,28).
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide has a molecular weight of 414.53 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 3557418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).