N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide

C14H12N2OS — CID 54923009

IUPACN-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
SMILESNCC#Cc1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C14H12N2OS/c15-9-3-6-11-5-1-2-7-12(11)16-14(17)13-8-4-10-18-13/h1-2,4-5,7-8,10H,9,15H2,(H,16,17)
InChIKeyAILGKEYAJCJKPL-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.31
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide

N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide (PubChem CID 54923009) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
PubChem CID54923009
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide
SMILESNCC#Cc1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C14H12N2OS/c15-9-3-6-11-5-1-2-7-12(11)16-14(17)13-8-4-10-18-13/h1-2,4-5,7-8,10H,9,15H2,(H,16,17)
InChIKeyAILGKEYAJCJKPL-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
CID 60813557
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214095
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106688746
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60803050
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-ethylbutanamide
CID 60804807
N-[2-(3-aminoprop-1-ynyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016183
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide (CID 54923009) is N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide is NCC#Cc1ccccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide?
The InChIKey is AILGKEYAJCJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-9-3-6-11-5-1-2-7-12(11)16-14(17)13-8-4-10-18-13/h1-2,4-5,7-8,10H,9,15H2,(H,16,17).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide?
N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 54923009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).