5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide

C14H9Cl3N2OS — CID 79691342

IUPAC5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide
SMILESNCC#Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H9Cl3N2OS/c15-9-5-11(16)13(12(17)6-9)19-14(20)8-4-10(21-7-8)2-1-3-18/h4-7H,3,18H2,(H,19,20)
InChIKeyQDZQOPDHNPQBCR-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.27
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide (PubChem CID 79691342) has the molecular formula C14H9Cl3N2OS and a molecular weight of 359.67 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide
PubChem CID79691342
Molecular FormulaC14H9Cl3N2OS
Molecular Weight359.67 g/mol
Exact Mass357.95
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide
SMILESNCC#Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H9Cl3N2OS/c15-9-5-11(16)13(12(17)6-9)19-14(20)8-4-10(21-7-8)2-1-3-18/h4-7H,3,18H2,(H,19,20)
InChIKeyQDZQOPDHNPQBCR-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)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

5-(3-aminoprop-1-ynyl)-N-(3-chloro-2-fluorophenyl)thiophene-3-carboxamide
CID 79683623
5-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-3-carboxamide
CID 79696592
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 79684581
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethylphenyl)thiophene-3-carboxamide
CID 79695981
5-(3-aminoprop-1-ynyl)-N-[(3-chlorophenyl)methyl]thiophene-3-carboxamide
CID 79683790
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
5-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]thiophene-3-carboxamide
CID 83115426
N-(3-amino-3-oxopropyl)-5-(3-aminoprop-1-ynyl)thiophene-3-carboxamide
CID 79683930
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
5-(3-aminoprop-1-ynyl)-N-(3-cyanophenyl)thiophene-3-carboxamide
CID 79696593
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)thiophene-3-carboxamide
CID 79696317
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]acetate
CID 79696589

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide (CID 79691342) is 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide is NCC#Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cs1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide?
The InChIKey is QDZQOPDHNPQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2OS/c15-9-5-11(16)13(12(17)6-9)19-14(20)8-4-10(21-7-8)2-1-3-18/h4-7H,3,18H2,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide has a molecular weight of 359.67 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2,4,6-trichlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 79691342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).