N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide

C15H15ClN2O2S — CID 56814058

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide
SMILESNC(=O)C(NC(=O)CCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2S/c16-12-8-6-11(21-12)7-9-13(19)18-14(15(17)20)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H2,17,20)(H,18,19)
InChIKeyQTFKSXLWCFTGHJ-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.68
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide

N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 56814058) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID56814058
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide
SMILESNC(=O)C(NC(=O)CCc1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C15H15ClN2O2S/c16-12-8-6-11(21-12)7-9-13(19)18-14(15(17)20)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H2,17,20)(H,18,19)
InChIKeyQTFKSXLWCFTGHJ-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide 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-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide (CID 56814058) is N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide is NC(=O)C(NC(=O)CCc1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is QTFKSXLWCFTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-12-8-6-11(21-12)7-9-13(19)18-14(15(17)20)10-4-2-1-3-5-10/h1-6,8,14H,7,9H2,(H2,17,20)(H,18,19).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide?
N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 322.82 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 56814058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).