4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C25H27N3O4S — CID 25353015

IUPAC4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1
InChIInChI=1S/C25H27N3O4S/c1-16-13-18(3)24(19(4)14-16)27-23(29)15-26-25(30)20-9-11-21(12-10-20)33(31,32)28-22-8-6-5-7-17(22)2/h5-14,28H,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyJFQQBZQPKVKGJT-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.09
Rot. Bonds7

About 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 25353015) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID25353015
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1
InChIInChI=1S/C25H27N3O4S/c1-16-13-18(3)24(19(4)14-16)27-23(29)15-26-25(30)20-9-11-21(12-10-20)33(31,32)28-22-8-6-5-7-17(22)2/h5-14,28H,15H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyJFQQBZQPKVKGJT-UHFFFAOYSA-N
XLogP4.09
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[(2-methylphenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9164348
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26313001
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-propan-2-ylsulfonylbenzamide
CID 55757965
N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3571007
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
N-[2-(azepan-1-yl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 37295302

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 25353015) is 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is JFQQBZQPKVKGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-16-13-18(3)24(19(4)14-16)27-23(29)15-26-25(30)20-9-11-21(12-10-20)33(31,32)28-22-8-6-5-7-17(22)2/h5-14,28H,15H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 25353015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).