(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C29H25NO6S — CID 4599949

IUPAC(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H25NO6S/c1-30(25-15-9-10-16-26(25)35-2)37(33,34)24-19-17-23(18-20-24)29(32)36-28(22-13-7-4-8-14-22)27(31)21-11-5-3-6-12-21/h3-20,28H,1-2H3
InChIKeyYQYUFQGSYVTWLI-UHFFFAOYSA-N
MW515.59 g/mol
LogP5.30
Rot. Bonds9

About (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 4599949) has the molecular formula C29H25NO6S and a molecular weight of 515.59 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID4599949
Molecular FormulaC29H25NO6S
Molecular Weight515.59 g/mol
Exact Mass515.14
IUPAC Name(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H25NO6S/c1-30(25-15-9-10-16-26(25)35-2)37(33,34)24-19-17-23(18-20-24)29(32)36-28(22-13-7-4-8-14-22)27(31)21-11-5-3-6-12-21/h3-20,28H,1-2H3
InChIKeyYQYUFQGSYVTWLI-UHFFFAOYSA-N
XLogP5.30
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.59
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate 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

propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 5218406
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
[(2S)-1-anilino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595310
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
[(1S)-2-oxo-1,2-diphenylethyl] 4-(dimethylamino)benzoate
CID 1296728
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
N-[cyclopropyl(phenyl)methyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46513510
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 42963469
ethyl 5-[2-[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 3588356

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 4599949) is (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is YQYUFQGSYVTWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6S/c1-30(25-15-9-10-16-26(25)35-2)37(33,34)24-19-17-23(18-20-24)29(32)36-28(22-13-7-4-8-14-22)27(31)21-11-5-3-6-12-21/h3-20,28H,1-2H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
(2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 515.59 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 4599949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).