N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C25H25N3O6S — CID 36865808

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)ccc2C)cc1
InChIInChI=1S/C25H25N3O6S/c1-3-34-18-11-9-16(10-12-18)28-35(32,33)23-13-17(8-7-15(23)2)26-24(30)20-14-19-21(27-25(20)31)5-4-6-22(19)29/h7-14,28H,3-6H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXJSBDTVAHOQUGT-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.65
Rot. Bonds7

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 36865808) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID36865808
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)ccc2C)cc1
InChIInChI=1S/C25H25N3O6S/c1-3-34-18-11-9-16(10-12-18)28-35(32,33)23-13-17(8-7-15(23)2)26-24(30)20-14-19-21(27-25(20)31)5-4-6-22(19)29/h7-14,28H,3-6H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXJSBDTVAHOQUGT-UHFFFAOYSA-N
XLogP3.65
TPSA134.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

2,5-dioxo-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 46552704
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-difluorobenzamide
CID 43030214
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methyl-3-nitrobenzamide
CID 26852102
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 76870673
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26852031
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 36865808) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c([nH]c3=O)CCCC4=O)ccc2C)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is XJSBDTVAHOQUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-3-34-18-11-9-16(10-12-18)28-35(32,33)23-13-17(8-7-15(23)2)26-24(30)20-14-19-21(27-25(20)31)5-4-6-22(19)29/h7-14,28H,3-6H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 36865808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).