6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide

C26H33N3O5S — CID 3679674

IUPAC6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC(C)C)CC(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C26H33N3O5S/c1-6-34-20-9-7-19(8-10-20)28-35(32,33)21-11-12-24-22(13-21)25(30)23(14-27-24)26(31)29(15-17(2)3)16-18(4)5/h7-14,17-18,28H,6,15-16H2,1-5H3,(H,27,30)
InChIKeyQKMZHCBGUYFVJC-UHFFFAOYSA-N
MW499.63 g/mol
LogP4.48
Rot. Bonds10

About 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide

6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3679674) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3679674
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Name6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC(C)C)CC(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C26H33N3O5S/c1-6-34-20-9-7-19(8-10-20)28-35(32,33)21-11-12-24-22(13-21)25(30)23(14-27-24)26(31)29(15-17(2)3)16-18(4)5/h7-14,17-18,28H,6,15-16H2,1-5H3,(H,27,30)
InChIKeyQKMZHCBGUYFVJC-UHFFFAOYSA-N
XLogP4.48
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
6-[(3,5-dimethylphenyl)sulfamoyl]-N,N-diethyl-4-oxo-1H-quinoline-3-carboxamide
CID 3245541
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
CID 19844106
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378
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
ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 134098178

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide (CID 3679674) is 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N(CC(C)C)CC(C)C)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is QKMZHCBGUYFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-6-34-20-9-7-19(8-10-20)28-35(32,33)21-11-12-24-22(13-21)25(30)23(14-27-24)26(31)29(15-17(2)3)16-18(4)5/h7-14,17-18,28H,6,15-16H2,1-5H3,(H,27,30).
What are the key properties of 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3679674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).