N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide

C23H18N2O6S — CID 1034649

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1
InChIInChI=1S/C23H18N2O6S/c1-30-18-10-6-17(7-11-18)25-32(28,29)19-12-8-16(9-13-19)24-22(26)20-14-15-4-2-3-5-21(15)31-23(20)27/h2-14,25H,1H3,(H,24,26)
InChIKeyGPDFPFXEEFOEFG-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.85
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (PubChem CID 1034649) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
PubChem CID1034649
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1
InChIInChI=1S/C23H18N2O6S/c1-30-18-10-6-17(7-11-18)25-32(28,29)19-12-8-16(9-13-19)24-22(26)20-14-15-4-2-3-5-21(15)31-23(20)27/h2-14,25H,1H3,(H,24,26)
InChIKeyGPDFPFXEEFOEFG-UHFFFAOYSA-N
XLogP3.85
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288
2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
CID 2109013
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
CID 33430522
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
CID 1137148
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide (CID 1034649) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is GPDFPFXEEFOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S/c1-30-18-10-6-17(7-11-18)25-32(28,29)19-12-8-16(9-13-19)24-22(26)20-14-15-4-2-3-5-21(15)31-23(20)27/h2-14,25H,1H3,(H,24,26).
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1034649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).