3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide

C17H25NO5S — CID 99996763

IUPAC3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)C1CCOCC1
InChIInChI=1S/C17H25NO5S/c19-16(14-7-11-23-12-8-14)6-10-18-17(20)9-13-24(21,22)15-4-2-1-3-5-15/h1-5,14,16,19H,6-13H2,(H,18,20)/t16-/m0/s1
InChIKeyBHERXNYWNUNMMW-INIZCTEOSA-N
MW355.46 g/mol
LogP1.14
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide

3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide (PubChem CID 99996763) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide
PubChem CID99996763
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)C1CCOCC1
InChIInChI=1S/C17H25NO5S/c19-16(14-7-11-23-12-8-14)6-10-18-17(20)9-13-24(21,22)15-4-2-1-3-5-15/h1-5,14,16,19H,6-13H2,(H,18,20)/t16-/m0/s1
InChIKeyBHERXNYWNUNMMW-INIZCTEOSA-N
XLogP1.14
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide 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-1,9-dioxaspiro[5.5]undec-4-yl-3-(phenylsulfonyl)propanamide
CID 70781484
N-(2-cyclohexyl-2-hydroxyethyl)-3-(phenylsulfonyl)propanamide
CID 56764312
3-(phenylsulfonyl)-N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)propanamide
CID 86265203
N-[(S)-3-cyclopropyl-3-hydroxypropyl]3-(phenylthio)propionamide
CID 96349889
N-[(S)-3-hydroxy-3-phenylpropyl]3-(phenylsulfonyl)propionamide
CID 97038586
N-[2-(2-fluorophenyl)sulfonylethyl]oxane-4-carboxamide
CID 60309705
3-(4-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64912189
3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928091
3-(4-fluorophenyl)sulfanyl-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 65834198
3-(2-fluorophenyl)sulfanyl-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 65834428
3-(benzenesulfonyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 49718044
N-((1-(hydroxymethyl)cyclopropyl)methyl)-3-(phenylsulfonyl)propanamide
CID 49739181

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide (CID 99996763) is 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)C1CCOCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide?
The InChIKey is BHERXNYWNUNMMW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO5S/c19-16(14-7-11-23-12-8-14)6-10-18-17(20)9-13-24(21,22)15-4-2-1-3-5-15/h1-5,14,16,19H,6-13H2,(H,18,20)/t16-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide?
3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]propanamide is sourced from PubChem (CID 99996763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).