(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

C22H22N2O2S — CID 7363698

IUPAC(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)c1
InChIInChI=1S/C22H22N2O2S/c1-13-7-5-10-19-14(2)11-20(24-21(13)19)27-16(4)22(26)23-18-9-6-8-17(12-18)15(3)25/h5-12,16H,1-4H3,(H,23,26)/t16-/m1/s1
InChIKeyRXYFGMZGVDUJCK-MRXNPFEDSA-N
MW378.50 g/mol
LogP5.17
Rot. Bonds5

About (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide

(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (PubChem CID 7363698) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
PubChem CID7363698
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)c1
InChIInChI=1S/C22H22N2O2S/c1-13-7-5-10-19-14(2)11-20(24-21(13)19)27-16(4)22(26)23-18-9-6-8-17(12-18)15(3)25/h5-12,16H,1-4H3,(H,23,26)/t16-/m1/s1
InChIKeyRXYFGMZGVDUJCK-MRXNPFEDSA-N
XLogP5.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 9456586
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8952780
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
N-(4-cyano-1-methylpyrazol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301929
(2R)-N-cyclopentyl-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7743628
(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 7743647
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide (CID 7363698) is (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cc(C)c3cccc(C)c3n2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is RXYFGMZGVDUJCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-13-7-5-10-19-14(2)11-20(24-21(13)19)27-16(4)22(26)23-18-9-6-8-17(12-18)15(3)25/h5-12,16H,1-4H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide?
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 378.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7363698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).