N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide

C15H22N2O2S — CID 56788377

IUPACN-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCCNC(=O)C(CCSC)NC(=O)Cc1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-3-16-15(19)13(9-10-20-2)17-14(18)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUUVWYVBXUFOIJP-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.60
Rot. Bonds8

About N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide

N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 56788377) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID56788377
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCCNC(=O)C(CCSC)NC(=O)Cc1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-3-16-15(19)13(9-10-20-2)17-14(18)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyUUVWYVBXUFOIJP-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide 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-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide (CID 56788377) is N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide is CCNC(=O)C(CCSC)NC(=O)Cc1ccccc1.
What is the InChIKey of N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is UUVWYVBXUFOIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-16-15(19)13(9-10-20-2)17-14(18)11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide?
N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 294.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 56788377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).