N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide

C25H23N3O5S — CID 55786897

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)n(C)c4ccccc34)ccc2C)cc1
InChIInChI=1S/C25H23N3O5S/c1-16-8-9-18(14-23(16)34(31,32)27-17-10-12-19(33-3)13-11-17)26-25(30)21-15-24(29)28(2)22-7-5-4-6-20(21)22/h4-15,27H,1-3H3,(H,26,30)
InChIKeyCVGQDVJZHXRVSZ-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.91
Rot. Bonds6

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55786897) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55786897
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)n(C)c4ccccc34)ccc2C)cc1
InChIInChI=1S/C25H23N3O5S/c1-16-8-9-18(14-23(16)34(31,32)27-17-10-12-19(33-3)13-11-17)26-25(30)21-15-24(29)28(2)22-7-5-4-6-20(21)22/h4-15,27H,1-3H3,(H,26,30)
InChIKeyCVGQDVJZHXRVSZ-UHFFFAOYSA-N
XLogP3.91
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55787078
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 39397805
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
2-(cyanomethylsulfanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 36679992
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26720987
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55786897) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)n(C)c4ccccc34)ccc2C)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is CVGQDVJZHXRVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-16-8-9-18(14-23(16)34(31,32)27-17-10-12-19(33-3)13-11-17)26-25(30)21-15-24(29)28(2)22-7-5-4-6-20(21)22/h4-15,27H,1-3H3,(H,26,30).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55786897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).