4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide

C10H13NOS — CID 84557985

IUPAC4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide
SMILESC=CCNC(=O)c1csc(C)c1C
InChIInChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12)
InChIKeyDGCYKBAFUIYUEX-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.28
Rot. Bonds3

About 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide

4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide (PubChem CID 84557985) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide
PubChem CID84557985
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide
SMILESC=CCNC(=O)c1csc(C)c1C
InChIInChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12)
InChIKeyDGCYKBAFUIYUEX-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.28
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

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CID 9881821
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CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N-(2,3-dimethylcyclohexyl)-2-thienylcarboxamide
CID 4072672
(4-Ethyl-5-methylthiophen-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6466910

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide (CID 84557985) is 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide is C=CCNC(=O)c1csc(C)c1C.
What is the InChIKey of 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide?
The InChIKey is DGCYKBAFUIYUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12).
What are the key properties of 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide?
4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide has a molecular weight of 195.29 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 4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide is sourced from PubChem (CID 84557985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).