N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide

C17H19ClN2O2S — CID 55582086

IUPACN-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCC(NC(=O)CCNC(=O)c1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2S/c1-2-15(12-4-3-5-14(18)10-12)20-16(21)6-8-19-17(22)13-7-9-23-11-13/h3-5,7,9-11,15H,2,6,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyDGWJGPNCWXDGML-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.79
Rot. Bonds7

About N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55582086) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55582086
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCC(NC(=O)CCNC(=O)c1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2S/c1-2-15(12-4-3-5-14(18)10-12)20-16(21)6-8-19-17(22)13-7-9-23-11-13/h3-5,7,9-11,15H,2,6,8H2,1H3,(H,19,22)(H,20,21)
InChIKeyDGWJGPNCWXDGML-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide 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

N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
methyl 3-phenyl-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate
CID 18121213
N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979645

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 55582086) is N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide is CCC(NC(=O)CCNC(=O)c1ccsc1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is DGWJGPNCWXDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-2-15(12-4-3-5-14(18)10-12)20-16(21)6-8-19-17(22)13-7-9-23-11-13/h3-5,7,9-11,15H,2,6,8H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 350.87 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-chlorophenyl)propylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55582086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).