N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

C15H20N2O2S — CID 46656583

IUPACN'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CC2C=CCC2)cc1C
InChIInChI=1S/C15H20N2O2S/c1-3-12-10(2)8-13(20-12)15(19)17-16-14(18)9-11-6-4-5-7-11/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLNNPXWLQXSAGOY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.74
Rot. Bonds4

About N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 46656583) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID46656583
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CC2C=CCC2)cc1C
InChIInChI=1S/C15H20N2O2S/c1-3-12-10(2)8-13(20-12)15(19)17-16-14(18)9-11-6-4-5-7-11/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLNNPXWLQXSAGOY-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961736
N'1-acetyl-3-(methylthio)-6,7-dihydrobenzo[c]thiophene-1-carbohydrazide
CID 2820129
N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-Methylthiophene-2-carbohydrazide
CID 2760084
1-Benzothiophene-2-carbohydrazide
CID 519437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793919
4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carbohydrazide
CID 3470425
4-Methylthiophene-2-carbohydrazide
CID 2808207

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 46656583) is N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CC2C=CCC2)cc1C.
What is the InChIKey of N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is LNNPXWLQXSAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-12-10(2)8-13(20-12)15(19)17-16-14(18)9-11-6-4-5-7-11/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 292.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 46656583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).