6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

C23H27N3O4S — CID 3522692

IUPAC6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C23H27N3O4S/c1-4-16-5-7-17(8-6-16)26-31(29,30)18-9-10-21-19(13-18)22(27)20(14-25-21)23(28)24-12-11-15(2)3/h5-10,13-15,26H,4,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySXPSPKLWMVGVEF-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.67
Rot. Bonds8

About 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide

6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3522692) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3522692
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C23H27N3O4S/c1-4-16-5-7-17(8-6-16)26-31(29,30)18-9-10-21-19(13-18)22(27)20(14-25-21)23(28)24-12-11-15(2)3/h5-10,13-15,26H,4,11-12H2,1-3H3,(H,24,28)(H,25,27)
InChIKeySXPSPKLWMVGVEF-UHFFFAOYSA-N
XLogP3.67
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4100412
N-(4-ethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide
CID 6622035
3-(azepane-1-carbonyl)-N-(4-ethylphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990627
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 15999163
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3679674
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3522692) is 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SXPSPKLWMVGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-16-5-7-17(8-6-16)26-31(29,30)18-9-10-21-19(13-18)22(27)20(14-25-21)23(28)24-12-11-15(2)3/h5-10,13-15,26H,4,11-12H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide?
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3522692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).