3-methyl-N-prop-2-ynylthiophene-2-carboxamide

C9H9NOS — CID 39911816

IUPAC3-methyl-N-prop-2-ynylthiophene-2-carboxamide
SMILESC#CCNC(=O)c1sccc1C
InChIInChI=1S/C9H9NOS/c1-3-5-10-9(11)8-7(2)4-6-12-8/h1,4,6H,5H2,2H3,(H,10,11)
InChIKeyJGFQPGLDXZQKEU-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.42
Rot. Bonds2

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

3-methyl-N-prop-2-ynylthiophene-2-carboxamide (PubChem CID 39911816) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-methyl-N-prop-2-ynylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-prop-2-ynylthiophene-2-carboxamide
PubChem CID39911816
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name3-methyl-N-prop-2-ynylthiophene-2-carboxamide
SMILESC#CCNC(=O)c1sccc1C
InChIInChI=1S/C9H9NOS/c1-3-5-10-9(11)8-7(2)4-6-12-8/h1,4,6H,5H2,2H3,(H,10,11)
InChIKeyJGFQPGLDXZQKEU-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.42
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-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
3-methyl-N-pent-1-yn-3-ylthiophene-2-carboxamide
CID 103579009
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
CID 71986091
2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 75496204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-prop-2-ynylthiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-prop-2-ynylthiophene-2-carboxamide (CID 39911816) is 3-methyl-N-prop-2-ynylthiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-prop-2-ynylthiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-prop-2-ynylthiophene-2-carboxamide is C#CCNC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-prop-2-ynylthiophene-2-carboxamide?
The InChIKey is JGFQPGLDXZQKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-3-5-10-9(11)8-7(2)4-6-12-8/h1,4,6H,5H2,2H3,(H,10,11).
What are the key properties of 3-methyl-N-prop-2-ynylthiophene-2-carboxamide?
3-methyl-N-prop-2-ynylthiophene-2-carboxamide has a molecular weight of 179.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-ynylthiophene-2-carboxamide is sourced from PubChem (CID 39911816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).