3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide

C16H23NO4S2 — CID 86265203

IUPAC3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCSC1CCOCC1
InChIInChI=1S/C16H23NO4S2/c18-16(17-9-12-22-14-6-10-21-11-7-14)8-13-23(19,20)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,18)
InChIKeyWRZBMVHWPWGOQZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.88
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide (PubChem CID 86265203) has the molecular formula C16H23NO4S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
PubChem CID86265203
Molecular FormulaC16H23NO4S2
Molecular Weight357.50 g/mol
Exact Mass357.11
IUPAC Name3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCCSC1CCOCC1
InChIInChI=1S/C16H23NO4S2/c18-16(17-9-12-22-14-6-10-21-11-7-14)8-13-23(19,20)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,18)
InChIKeyWRZBMVHWPWGOQZ-UHFFFAOYSA-N
XLogP1.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide (CID 86265203) is 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCCSC1CCOCC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
The InChIKey is WRZBMVHWPWGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S2/c18-16(17-9-12-22-14-6-10-21-11-7-14)8-13-23(19,20)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide has a molecular weight of 357.50 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 86265203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).