N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

C15H17ClN2OS — CID 4882299

IUPACN-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-11(18(2)10-14-4-3-9-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyOXWACPHCWQPXQX-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.86
Rot. Bonds5

About N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 4882299) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID4882299
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1
InChIInChI=1S/C15H17ClN2OS/c1-11(18(2)10-14-4-3-9-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyOXWACPHCWQPXQX-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]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

Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N1-(4-chlorophenyl)-2-(2-thienylthio)acetamide
CID 2819664
SARS-CoV-2 Mpro-IN-6
CID 166642467
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-chlorophenyl)-2-(thiophen-2-yl)acetamide
CID 669817
1-(4-Chlorophenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2882225
N-(2-chloro-4-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 4852470
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-(3,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2555867
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-phenyl-N-(2-thienylmethyl)urea
CID 2958227
N-[1-(4-Phenylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]propanamide
CID 3240113

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (CID 4882299) is N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)N(C)Cc1cccs1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is OXWACPHCWQPXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-11(18(2)10-14-4-3-9-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 308.83 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 4882299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).