N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide

C10H11NOS — CID 14552694

IUPACN-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C10H11NOS/c1-4-10(2,3)11-9(12)8-6-5-7-13-8/h1,5-7H,2-3H3,(H,11,12)
InChIKeyOYLJJQVEIBEXQR-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.89
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide

N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide (PubChem CID 14552694) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide
PubChem CID14552694
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide
SMILESC#CC(C)(C)NC(=O)c1cccs1
InChIInChI=1S/C10H11NOS/c1-4-10(2,3)11-9(12)8-6-5-7-13-8/h1,5-7H,2-3H3,(H,11,12)
InChIKeyOYLJJQVEIBEXQR-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dibromo-2-methyl-3-oxobutan-2-yl)thiophene-2-carboxamide
CID 14552701
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 110870459
N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
CID 63998131
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
N-formylthiophene-2-carboxamide
CID 2771336
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115884647
tert-butyl 2-thiophen-2-ylpent-2-en-4-ynoate
CID 175217285
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide (CID 14552694) is N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide is C#CC(C)(C)NC(=O)c1cccs1.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide?
The InChIKey is OYLJJQVEIBEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-4-10(2,3)11-9(12)8-6-5-7-13-8/h1,5-7H,2-3H3,(H,11,12).
What are the key properties of N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide?
N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide has a molecular weight of 193.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 14552694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).