2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide

C21H23N3O3S2 — CID 46367328

IUPAC2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N(C)C)cc12
InChIInChI=1S/C21H23N3O3S2/c1-14-12-20(28-15(2)21(25)22-16-8-6-5-7-9-16)23-19-11-10-17(13-18(14)19)29(26,27)24(3)4/h5-13,15H,1-4H3,(H,22,25)
InChIKeyMFUVVXCOOKTYRW-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.91
Rot. Bonds6

About 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide

2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide (PubChem CID 46367328) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
PubChem CID46367328
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
SMILESCc1cc(SC(C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N(C)C)cc12
InChIInChI=1S/C21H23N3O3S2/c1-14-12-20(28-15(2)21(25)22-16-8-6-5-7-9-16)23-19-11-10-17(13-18(14)19)29(26,27)24(3)4/h5-13,15H,1-4H3,(H,22,25)
InChIKeyMFUVVXCOOKTYRW-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanylpropanamide
CID 46367332
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304878
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
N-(2-ethylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylpropanamide
CID 46367145
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 42886823
2-(4-methylquinolin-2-yl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4880552
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
(2R)-N-(3-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 7759639
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
CID 42947736

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide (CID 46367328) is 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide is Cc1cc(SC(C)C(=O)Nc2ccccc2)nc2ccc(S(=O)(=O)N(C)C)cc12.
What is the InChIKey of 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is MFUVVXCOOKTYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-14-12-20(28-15(2)21(25)22-16-8-6-5-7-9-16)23-19-11-10-17(13-18(14)19)29(26,27)24(3)4/h5-13,15H,1-4H3,(H,22,25).
What are the key properties of 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide?
2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 429.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 46367328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).