2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide

C13H18N2O2S — CID 9289997

IUPAC2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-2-14-12(16)8-15-13(17)10-18-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyLBYAOZPJFMISEK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.17
Rot. Bonds7

About 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide

2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide (PubChem CID 9289997) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
PubChem CID9289997
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)CSCc1ccccc1
InChIInChI=1S/C13H18N2O2S/c1-2-14-12(16)8-15-13(17)10-18-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyLBYAOZPJFMISEK-UHFFFAOYSA-N
XLogP1.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide 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

2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112666
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
(2R)-2-[(2-benzylsulfanylacetyl)amino]pentanoic acid
CID 93252347
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
2-[(4-carbamimidoylphenyl)methylsulfanyl]-N-ethylacetamide
CID 114233800

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide (CID 9289997) is 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide is CCNC(=O)CNC(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide?
The InChIKey is LBYAOZPJFMISEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-14-12(16)8-15-13(17)10-18-9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide?
2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylacetyl)amino]-N-ethylacetamide is sourced from PubChem (CID 9289997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).