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

C26H25N3O5S — CID 3522985

IUPAC6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1
InChIInChI=1S/C26H25N3O5S/c1-2-34-20-10-8-19(9-11-20)29-35(32,33)21-12-13-24-22(16-21)25(30)23(17-28-24)26(31)27-15-14-18-6-4-3-5-7-18/h3-13,16-17,29H,2,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyBDTBNROAJRWSHS-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.70
Rot. Bonds9

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

6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 3522985) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID3522985
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1
InChIInChI=1S/C26H25N3O5S/c1-2-34-20-10-8-19(9-11-20)29-35(32,33)21-12-13-24-22(16-21)25(30)23(17-28-24)26(31)27-15-14-18-6-4-3-5-7-18/h3-13,16-17,29H,2,14-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyBDTBNROAJRWSHS-UHFFFAOYSA-N
XLogP3.70
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
CID 19844106
6-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(2-methylpropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3679674
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)-4-oxo-1H-quinoline-6-sulfonamide
CID 15990653
6-[(4-ethylphenyl)sulfamoyl]-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3522692
6-[(4-ethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4100412
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 29239688
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
6-ethoxy-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473151

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 3522985) is 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is BDTBNROAJRWSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-2-34-20-10-8-19(9-11-20)29-35(32,33)21-12-13-24-22(16-21)25(30)23(17-28-24)26(31)27-15-14-18-6-4-3-5-7-18/h3-13,16-17,29H,2,14-15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3522985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).