N,N-diethyl-2-phenylsulfanylacetamide

C12H17NOS — CID 846787

IUPACN,N-diethyl-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ccccc1
InChIInChI=1S/C12H17NOS/c1-3-13(4-2)12(14)10-15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyIUKLUPXCEUXOIW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.65
Rot. Bonds5

About N,N-diethyl-2-phenylsulfanylacetamide

N,N-diethyl-2-phenylsulfanylacetamide (PubChem CID 846787) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N,N-diethyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-phenylsulfanylacetamide
PubChem CID846787
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN,N-diethyl-2-phenylsulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ccccc1
InChIInChI=1S/C12H17NOS/c1-3-13(4-2)12(14)10-15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyIUKLUPXCEUXOIW-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-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,N-diethyl-2-phenylsulfanylacetamide?
The IUPAC name of N,N-diethyl-2-phenylsulfanylacetamide (CID 846787) is N,N-diethyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-phenylsulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-phenylsulfanylacetamide is CCN(CC)C(=O)CSc1ccccc1.
What is the InChIKey of N,N-diethyl-2-phenylsulfanylacetamide?
The InChIKey is IUKLUPXCEUXOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-3-13(4-2)12(14)10-15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N,N-diethyl-2-phenylsulfanylacetamide?
N,N-diethyl-2-phenylsulfanylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 846787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).