N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide

C11H13NOS — CID 4303274

IUPACN-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide
SMILESC#CC(C)(CC)NC(=O)c1cccs1
InChIInChI=1S/C11H13NOS/c1-4-11(3,5-2)12-10(13)9-7-6-8-14-9/h1,6-8H,5H2,2-3H3,(H,12,13)
InChIKeyDNNFAADMGZVOKA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.28
Rot. Bonds3

About N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide

N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide (PubChem CID 4303274) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide
PubChem CID4303274
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide
SMILESC#CC(C)(CC)NC(=O)c1cccs1
InChIInChI=1S/C11H13NOS/c1-4-11(3,5-2)12-10(13)9-7-6-8-14-9/h1,6-8H,5H2,2-3H3,(H,12,13)
InChIKeyDNNFAADMGZVOKA-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methylpent-1-yn-3-yl)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

N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-Tert-butyl-2-thiophenecarboxamide
CID 4324161
5-bromo-N-(3-ethylpent-1-yn-3-yl)thiophene-2-carboxamide
CID 1247026
Methyl 2-methyl-2-(2-thienylcarbonylamino)propanoate
CID 973369
2,2,5,5-tetramethyl-N-[3-(thiophene-2-carbonylamino)propyl]-1H-pyrrole-3-carboxamide
CID 14306890
N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 342624
N-butylthiophene-2-carboxamide
CID 4278024
N-(2-Hydroxy-1,1-dimethylethyl)-2-thiophenecarboxamide
CID 382480
N-isobutyl-2-thiophenecarboxamide
CID 835469
N-isopentyl-2-thiophenecarboxamide
CID 835970
N-cyclopentyl-2-thiophenecarboxamide
CID 3346892
N-(1,1-dimethylpropyl)-2-(2-thienyl)acetamide
CID 977581

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide (CID 4303274) is N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide is C#CC(C)(CC)NC(=O)c1cccs1.
What is the InChIKey of N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide?
The InChIKey is DNNFAADMGZVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-4-11(3,5-2)12-10(13)9-7-6-8-14-9/h1,6-8H,5H2,2-3H3,(H,12,13).
What are the key properties of N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide?
N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide has a molecular weight of 207.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpent-1-yn-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4303274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).