2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

C20H21N3O4S2 — CID 46302335

IUPAC2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1cccc2c(C)cc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12
InChIInChI=1S/C20H21N3O4S2/c1-12-11-18(23-19-16(12)5-4-6-17(19)27-3)28-13(2)20(24)22-14-7-9-15(10-8-14)29(21,25)26/h4-11,13H,1-3H3,(H,22,24)(H2,21,25,26)
InChIKeyFMLLAXJBSAFBDR-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.32
Rot. Bonds6

About 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 46302335) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID46302335
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1cccc2c(C)cc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12
InChIInChI=1S/C20H21N3O4S2/c1-12-11-18(23-19-16(12)5-4-6-17(19)27-3)28-13(2)20(24)22-14-7-9-15(10-8-14)29(21,25)26/h4-11,13H,1-3H3,(H,22,24)(H2,21,25,26)
InChIKeyFMLLAXJBSAFBDR-UHFFFAOYSA-N
XLogP3.32
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302411
(2S)-N-(4-acetamidophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363693
(2S)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272508
N-(4-chlorophenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302357
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363756
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 46301970
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
2-[6-(dimethylsulfamoyl)-4-methylquinolin-2-yl]sulfanyl-N-phenylpropanamide
CID 46367328
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (CID 46302335) is 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is COc1cccc2c(C)cc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)nc12.
What is the InChIKey of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is FMLLAXJBSAFBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-12-11-18(23-19-16(12)5-4-6-17(19)27-3)28-13(2)20(24)22-14-7-9-15(10-8-14)29(21,25)26/h4-11,13H,1-3H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 431.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 46302335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).