2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C20H25N3O4S — CID 9494412

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25N3O4S/c1-14-6-9-17(10-7-14)22-19(24)13-23(4)20(25)12-21-28(26,27)18-11-15(2)5-8-16(18)3/h5-11,21H,12-13H2,1-4H3,(H,22,24)
InChIKeyNLAHVOCLDMGTNN-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.99
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 9494412) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID9494412
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25N3O4S/c1-14-6-9-17(10-7-14)22-19(24)13-23(4)20(25)12-21-28(26,27)18-11-15(2)5-8-16(18)3/h5-11,21H,12-13H2,1-4H3,(H,22,24)
InChIKeyNLAHVOCLDMGTNN-UHFFFAOYSA-N
XLogP1.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-3-[(2,5-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 46822994
[2-(4-methylanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657494
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
N-(4-acetamidophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 100781076
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 110370561
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
4-(2,5-dimethylphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxobutanamide
CID 9494110
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657542
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 9494412) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is NLAHVOCLDMGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-6-9-17(10-7-14)22-19(24)13-23(4)20(25)12-21-28(26,27)18-11-15(2)5-8-16(18)3/h5-11,21H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9494412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).