N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide

C14H10Cl2N2OS — CID 62908898

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide
SMILESNCC#Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-4-3-9(2-1-7-17)8-11(10)18-14(19)12-5-6-13(16)20-12/h3-6,8H,7,17H2,(H,18,19)
InChIKeyVGGBIVJFLSLPGX-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.62
Rot. Bonds2

About N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide (PubChem CID 62908898) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide
PubChem CID62908898
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide
SMILESNCC#Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-4-3-9(2-1-7-17)8-11(10)18-14(19)12-5-6-13(16)20-12/h3-6,8H,7,17H2,(H,18,19)
InChIKeyVGGBIVJFLSLPGX-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-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-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 81279965
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
CID 62909235
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylimidazole-4-carboxamide
CID 107974092
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62908038
5-chloro-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 62276709
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
CID 62909232
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
CID 62910082
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide
CID 55131668
3-(3-aminoprop-1-ynyl)-N-(2,5-dichlorophenyl)benzamide
CID 60821048
1-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-3-cyclohexylurea
CID 62908041

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide (CID 62908898) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide is NCC#Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is VGGBIVJFLSLPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-10-4-3-9(2-1-7-17)8-11(10)18-14(19)12-5-6-13(16)20-12/h3-6,8H,7,17H2,(H,18,19).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 325.22 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 62908898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).