N-(3-ethoxypropyl)-2-phenylsulfanylacetamide

C13H19NO2S — CID 2180085

IUPACN-(3-ethoxypropyl)-2-phenylsulfanylacetamide
SMILESCCOCCCNC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-16-10-6-9-14-13(15)11-17-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15)
InChIKeyWCUATHYXKIYICN-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds8

About N-(3-ethoxypropyl)-2-phenylsulfanylacetamide

N-(3-ethoxypropyl)-2-phenylsulfanylacetamide (PubChem CID 2180085) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-phenylsulfanylacetamide
PubChem CID2180085
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(3-ethoxypropyl)-2-phenylsulfanylacetamide
SMILESCCOCCCNC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-16-10-6-9-14-13(15)11-17-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15)
InChIKeyWCUATHYXKIYICN-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-2-phenylsulfanylacetamide 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 N-(3-ethoxypropyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-phenylsulfanylacetamide (CID 2180085) is N-(3-ethoxypropyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-phenylsulfanylacetamide is CCOCCCNC(=O)CSc1ccccc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-phenylsulfanylacetamide?
The InChIKey is WCUATHYXKIYICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-10-6-9-14-13(15)11-17-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,14,15).
What are the key properties of N-(3-ethoxypropyl)-2-phenylsulfanylacetamide?
N-(3-ethoxypropyl)-2-phenylsulfanylacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2180085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).