2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide

C19H24N2O3S — CID 51345314

IUPAC2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)20-19(22)13-21(17-9-5-15(3)6-10-17)25(23,24)18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyAXPOVPPWCBSTGD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide

2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 51345314) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
PubChem CID51345314
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
SMILESCc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)20-19(22)13-21(17-9-5-15(3)6-10-17)25(23,24)18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyAXPOVPPWCBSTGD-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 2260812
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
N-(3-methylbutan-2-yl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 133240950
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
N-[(2S)-3-methylbutan-2-yl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 100562767
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide (CID 51345314) is 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide is Cc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is AXPOVPPWCBSTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)20-19(22)13-21(17-9-5-15(3)6-10-17)25(23,24)18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide?
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 360.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 51345314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).