2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide

C11H15NO4S — CID 82181671

IUPAC2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)(=O)CCO
InChIInChI=1S/C11H15NO4S/c1-9(17(15,16)8-7-13)11(14)12-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)
InChIKeyJAUFPDUHNVCYJS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.42
Rot. Bonds5

About 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide

2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide (PubChem CID 82181671) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
PubChem CID82181671
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)(=O)CCO
InChIInChI=1S/C11H15NO4S/c1-9(17(15,16)8-7-13)11(14)12-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)
InChIKeyJAUFPDUHNVCYJS-UHFFFAOYSA-N
XLogP0.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide 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-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
CID 82181674
(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
CID 125141054
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
2-propylsulfonyl-N-pyridin-4-ylpropanamide
CID 60572366
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 94090675
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51933875

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide?
The IUPAC name of 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide (CID 82181671) is 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide?
The canonical SMILES for 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)S(=O)(=O)CCO.
What is the InChIKey of 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide?
The InChIKey is JAUFPDUHNVCYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9(17(15,16)8-7-13)11(14)12-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14).
What are the key properties of 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide?
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide has a molecular weight of 257.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide is sourced from PubChem (CID 82181671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).