5-methyl-N-prop-2-enylthiophene-2-carboxamide

C9H11NOS — CID 60636458

IUPAC5-methyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccc(C)s1
InChIInChI=1S/C9H11NOS/c1-3-6-10-9(11)8-5-4-7(2)12-8/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeySZLDXVLXFMRZAD-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.97
Rot. Bonds3

About 5-methyl-N-prop-2-enylthiophene-2-carboxamide

5-methyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 60636458) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-methyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID60636458
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name5-methyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1ccc(C)s1
InChIInChI=1S/C9H11NOS/c1-3-6-10-9(11)8-5-4-7(2)12-8/h3-5H,1,6H2,2H3,(H,10,11)
InChIKeySZLDXVLXFMRZAD-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-methylthiophene-2-carboxamide;penta-1,4-diene
CID 143748403
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
5-(5-methylthiophen-2-yl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 39297316
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
N-(3-chloro-2,2-dimethylpropyl)-5-methylthiophene-2-carboxamide
CID 115364549
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-prop-2-enylthiophene-2-carboxamide (CID 60636458) is 5-methyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1ccc(C)s1.
What is the InChIKey of 5-methyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is SZLDXVLXFMRZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-3-6-10-9(11)8-5-4-7(2)12-8/h3-5H,1,6H2,2H3,(H,10,11).
What are the key properties of 5-methyl-N-prop-2-enylthiophene-2-carboxamide?
5-methyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 181.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 60636458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).