5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide

C15H22N2OS — CID 79990142

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)C)sc1C#CCN
InChIInChI=1S/C15H22N2OS/c1-11(2)6-5-9-17-15(18)14-10-12(3)13(19-14)7-4-8-16/h10-11H,5-6,8-9,16H2,1-3H3,(H,17,18)
InChIKeyFNYSIWWTBSZLCZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.53
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide (PubChem CID 79990142) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
PubChem CID79990142
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCC(C)C)sc1C#CCN
InChIInChI=1S/C15H22N2OS/c1-11(2)6-5-9-17-15(18)14-10-12(3)13(19-14)7-4-8-16/h10-11H,5-6,8-9,16H2,1-3H3,(H,17,18)
InChIKeyFNYSIWWTBSZLCZ-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)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

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide (CID 79990142) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCCC(C)C)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide?
The InChIKey is FNYSIWWTBSZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)6-5-9-17-15(18)14-10-12(3)13(19-14)7-4-8-16/h10-11H,5-6,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.53, 5 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)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide is sourced from PubChem (CID 79990142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).