2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C18H22N2O3S — CID 51343028

IUPAC2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)15-9-11-16(12-10-15)19-18(21)13-20(24(3,22)23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyFSQUJVZICDTZQZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.21
Rot. Bonds6

About 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 51343028) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID51343028
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O3S/c1-14(2)15-9-11-16(12-10-15)19-18(21)13-20(24(3,22)23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyFSQUJVZICDTZQZ-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-naphthalen-2-ylacetamide
CID 30168762
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113153663
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
ethyl 4-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361162
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 51343028) is 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FSQUJVZICDTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)15-9-11-16(12-10-15)19-18(21)13-20(24(3,22)23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51343028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).