N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide

C14H13NO2S2 — CID 56785076

IUPACN-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC(=O)c1cccs1
InChIInChI=1S/C14H13NO2S2/c16-12(13-7-4-8-18-13)9-15-14(17)10-19-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)
InChIKeyLAOGXKCPZQNLRO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.84
Rot. Bonds6

About N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide

N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide (PubChem CID 56785076) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
PubChem CID56785076
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC NameN-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCC(=O)c1cccs1
InChIInChI=1S/C14H13NO2S2/c16-12(13-7-4-8-18-13)9-15-14(17)10-19-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)
InChIKeyLAOGXKCPZQNLRO-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-oxo-2-thiophen-2-ylethyl)-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-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide (CID 56785076) is N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCC(=O)c1cccs1.
What is the InChIKey of N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide?
The InChIKey is LAOGXKCPZQNLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c16-12(13-7-4-8-18-13)9-15-14(17)10-19-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17).
What are the key properties of N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide?
N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide has a molecular weight of 291.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 56785076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).