2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

C18H22N2O3S — CID 30170439

IUPAC2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-8-16(9-6-13)24(22,23)20(12-18(21)19-4)17-10-7-14(2)11-15(17)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyPIFOVHMFHDGTCG-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds5

About 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (PubChem CID 30170439) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
PubChem CID30170439
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-5-8-16(9-6-13)24(22,23)20(12-18(21)19-4)17-10-7-14(2)11-15(17)3/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyPIFOVHMFHDGTCG-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-ethylacetamide
CID 30170440
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902286
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30212055
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 30170482
4-bromo-N-(2,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891831
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30305984
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide (CID 30170439) is 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
The InChIKey is PIFOVHMFHDGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-5-8-16(9-6-13)24(22,23)20(12-18(21)19-4)17-10-7-14(2)11-15(17)3/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide?
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide has a molecular weight of 346.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 30170439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).