2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide

C18H21NO3S — CID 3937721

IUPAC2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)15-6-8-16(9-7-15)19-18(20)12-23(21,22)17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyXSLMYHKGXYPPGV-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide

2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 3937721) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID3937721
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)15-6-8-16(9-7-15)19-18(20)12-23(21,22)17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyXSLMYHKGXYPPGV-UHFFFAOYSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
2-(4-methylphenyl)sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 6493238
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 78761169
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 5166921
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide (CID 3937721) is 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XSLMYHKGXYPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13(2)15-6-8-16(9-7-15)19-18(20)12-23(21,22)17-10-4-14(3)5-11-17/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 3937721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).