N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide

C23H25N3O4S2 — CID 46367332

IUPACN-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-14-12-22(25-21-11-10-19(13-20(14)21)32(29,30)26(4)5)31-16(3)23(28)24-18-8-6-17(7-9-18)15(2)27/h6-13,16H,1-5H3,(H,24,28)
InChIKeyJCDVBLBJLVRURW-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.12
Rot. Bonds7

About N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide

N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide (PubChem CID 46367332) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide
PubChem CID46367332
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-14-12-22(25-21-11-10-19(13-20(14)21)32(29,30)26(4)5)31-16(3)23(28)24-18-8-6-17(7-9-18)15(2)27/h6-13,16H,1-5H3,(H,24,28)
InChIKeyJCDVBLBJLVRURW-UHFFFAOYSA-N
XLogP4.12
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
CID 46367328
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304878
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 42886823
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 46302335
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide
CID 46367145
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-(4-acetylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55317414

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide (CID 46367332) is N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide is CC(=O)c1ccc(NC(=O)C(C)Sc2cc(C)c3cc(S(=O)(=O)N(C)C)ccc3n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide?
The InChIKey is JCDVBLBJLVRURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-14-12-22(25-21-11-10-19(13-20(14)21)32(29,30)26(4)5)31-16(3)23(28)24-18-8-6-17(7-9-18)15(2)27/h6-13,16H,1-5H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide?
N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide has a molecular weight of 471.60 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46367332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).