2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide

C24H26N2O3S — CID 1335965

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-9-12-21(13-10-18)16-25-24(27)17-26(23-14-11-19(2)15-20(23)3)30(28,29)22-7-5-4-6-8-22/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyTYWHIMWZUXPLKK-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.12
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1335965) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1335965
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-18-9-12-21(13-10-18)16-25-24(27)17-26(23-14-11-19(2)15-20(23)3)30(28,29)22-7-5-4-6-8-22/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyTYWHIMWZUXPLKK-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30305984
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30175478
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767547
N-[(4-fluorophenyl)methyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305775
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-ethylacetamide
CID 30170440
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-tert-butylacetamide
CID 2270999
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
N-(2-benzylbutyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893746
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170439

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide (CID 1335965) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is TYWHIMWZUXPLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-9-12-21(13-10-18)16-25-24(27)17-26(23-14-11-19(2)15-20(23)3)30(28,29)22-7-5-4-6-8-22/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1335965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).