3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide

C23H22N2O4S — CID 1081936

IUPAC3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1
InChIInChI=1S/C23H22N2O4S/c1-15-7-4-5-10-21(15)24-23(27)19-12-11-16(2)22(14-19)30(28,29)25-20-9-6-8-18(13-20)17(3)26/h4-14,25H,1-3H3,(H,24,27)
InChIKeyGLASMHKWSLYDNT-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.56
Rot. Bonds6

About 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide

3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide (PubChem CID 1081936) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
PubChem CID1081936
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1
InChIInChI=1S/C23H22N2O4S/c1-15-7-4-5-10-21(15)24-23(27)19-12-11-16(2)22(14-19)30(28,29)25-20-9-6-8-18(13-20)17(3)26/h4-14,25H,1-3H3,(H,24,27)
InChIKeyGLASMHKWSLYDNT-UHFFFAOYSA-N
XLogP4.56
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide (CID 1081936) is 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide is CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide?
The InChIKey is GLASMHKWSLYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-7-4-5-10-21(15)24-23(27)19-12-11-16(2)22(14-19)30(28,29)25-20-9-6-8-18(13-20)17(3)26/h4-14,25H,1-3H3,(H,24,27).
What are the key properties of 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide?
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 1081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).