N-ethyl-N-prop-2-ynylthiophene-3-carboxamide

C10H11NOS — CID 78970586

IUPACN-ethyl-N-prop-2-ynylthiophene-3-carboxamide
SMILESC#CCN(CC)C(=O)c1ccsc1
InChIInChI=1S/C10H11NOS/c1-3-6-11(4-2)10(12)9-5-7-13-8-9/h1,5,7-8H,4,6H2,2H3
InChIKeyHKURMZMOQFARNN-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.84
Rot. Bonds3

About N-ethyl-N-prop-2-ynylthiophene-3-carboxamide

N-ethyl-N-prop-2-ynylthiophene-3-carboxamide (PubChem CID 78970586) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynylthiophene-3-carboxamide
PubChem CID78970586
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-ethyl-N-prop-2-ynylthiophene-3-carboxamide
SMILESC#CCN(CC)C(=O)c1ccsc1
InChIInChI=1S/C10H11NOS/c1-3-6-11(4-2)10(12)9-5-7-13-8-9/h1,5,7-8H,4,6H2,2H3
InChIKeyHKURMZMOQFARNN-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695
2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone
CID 118140915
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
CID 79725826
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78970661
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
N-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
3,4-diethoxy-N-ethyl-N-prop-2-ynylbenzamide
CID 78970389
N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide
CID 103764491
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460
3-chloro-N-ethyl-4-fluoro-N-prop-2-ynylbenzamide
CID 81435072
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynylthiophene-3-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynylthiophene-3-carboxamide (CID 78970586) is N-ethyl-N-prop-2-ynylthiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynylthiophene-3-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynylthiophene-3-carboxamide is C#CCN(CC)C(=O)c1ccsc1.
What is the InChIKey of N-ethyl-N-prop-2-ynylthiophene-3-carboxamide?
The InChIKey is HKURMZMOQFARNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-6-11(4-2)10(12)9-5-7-13-8-9/h1,5,7-8H,4,6H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynylthiophene-3-carboxamide?
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide has a molecular weight of 193.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynylthiophene-3-carboxamide is sourced from PubChem (CID 78970586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).