5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide

C17H18N2OS — CID 104592147

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(C#CCN)s1)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-13(14-6-3-2-4-7-14)12-19-17(20)16-10-9-15(21-16)8-5-11-18/h2-4,6-7,9-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyMHPVOLDQWXBMSX-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.59
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide (PubChem CID 104592147) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
PubChem CID104592147
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(C#CCN)s1)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-13(14-6-3-2-4-7-14)12-19-17(20)16-10-9-15(21-16)8-5-11-18/h2-4,6-7,9-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyMHPVOLDQWXBMSX-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.59
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-phenylpropyl)thiophene-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

5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-acetyl-N-[(2S)-2-phenylpropyl]thiophene-2-carboxamide
CID 9090014
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 61479130
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 61074964
5-(3-aminoprop-1-ynyl)-N-[(4-methyl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 114957354

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide (CID 104592147) is 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide is CC(CNC(=O)c1ccc(C#CCN)s1)c1ccccc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is MHPVOLDQWXBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13(14-6-3-2-4-7-14)12-19-17(20)16-10-9-15(21-16)8-5-11-18/h2-4,6-7,9-10,13H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.59, 4 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-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 104592147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).