2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide

C18H22N2O3S — CID 30257747

IUPAC2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
SMILESCC(C)c1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-14(2)16-11-7-8-12-17(16)20(24(3,22)23)13-18(21)19-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyAOJRNMVCJHEHKS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.21
Rot. Bonds6

About 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide

2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide (PubChem CID 30257747) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
PubChem CID30257747
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
SMILESCC(C)c1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-14(2)16-11-7-8-12-17(16)20(24(3,22)23)13-18(21)19-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyAOJRNMVCJHEHKS-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

Analyze 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30259702
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100521667
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
butyl 4-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzoate
CID 30276364
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 30262952
N-butan-2-yl-2-[[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]benzamide
CID 43899854

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide?
The IUPAC name of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide (CID 30257747) is 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide is CC(C)c1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide?
The InChIKey is AOJRNMVCJHEHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)16-11-7-8-12-17(16)20(24(3,22)23)13-18(21)19-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide?
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide 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-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide is sourced from PubChem (CID 30257747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).