4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide

C18H21N3O4S — CID 9164619

IUPAC4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21N3O4S/c1-12-4-5-13(2)16(10-12)26(24,25)20-11-17(22)21-15-8-6-14(7-9-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyLZPLMMVOONPIIZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.58
Rot. Bonds6

About 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide

4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide (PubChem CID 9164619) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
PubChem CID9164619
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21N3O4S/c1-12-4-5-13(2)16(10-12)26(24,25)20-11-17(22)21-15-8-6-14(7-9-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyLZPLMMVOONPIIZ-UHFFFAOYSA-N
XLogP1.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
[2-(4-methylanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657494
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846091
2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9494412
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
4-methyl-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214879
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657542
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657514
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide (CID 9164619) is 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide?
The InChIKey is LZPLMMVOONPIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-4-5-13(2)16(10-12)26(24,25)20-11-17(22)21-15-8-6-14(7-9-15)18(23)19-3/h4-10,20H,11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide?
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 9164619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).