3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide

C14H14ClNOS — CID 47129005

IUPAC3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1cccs1
InChIInChI=1S/C14H14ClNOS/c15-12-4-1-3-11(9-12)6-7-14(17)16-10-13-5-2-8-18-13/h1-5,8-9H,6-7,10H2,(H,16,17)
InChIKeyKTXUJADHGJHGNB-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.65
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide

3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 47129005) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID47129005
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCc1cccs1
InChIInChI=1S/C14H14ClNOS/c15-12-4-1-3-11(9-12)6-7-14(17)16-10-13-5-2-8-18-13/h1-5,8-9H,6-7,10H2,(H,16,17)
InChIKeyKTXUJADHGJHGNB-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide 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

3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
2-(3-chloroanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 37474298
3-(3-chlorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422057
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965954
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 47129005) is 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1cccc(Cl)c1)NCc1cccs1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is KTXUJADHGJHGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-12-4-1-3-11(9-12)6-7-14(17)16-10-13-5-2-8-18-13/h1-5,8-9H,6-7,10H2,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 279.79 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 47129005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).