2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide

C13H19NO3S — CID 47207398

IUPAC2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCCS(=O)(=O)CC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO3S/c1-4-18(16,17)9-13(15)14-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyUXZJEGUUMSVOLO-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.18
Rot. Bonds5

About 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide

2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 47207398) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID47207398
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCCS(=O)(=O)CC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO3S/c1-4-18(16,17)9-13(15)14-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyUXZJEGUUMSVOLO-UHFFFAOYSA-N
XLogP2.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide 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

3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
2-(2-hydroxyphenyl)-N-(3-propan-2-ylphenyl)acetamide
CID 78990924
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
2-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]pentanoic acid
CID 43632015
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide (CID 47207398) is 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide is CCS(=O)(=O)CC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is UXZJEGUUMSVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-18(16,17)9-13(15)14-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide?
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 47207398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).