N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide

C15H21NOS — CID 25236327

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NCCC2=CCCCC2)c1C
InChIInChI=1S/C15H21NOS/c1-11-12(2)18-10-14(11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyNDDFBTONSGWPLG-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.99
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 25236327) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide
PubChem CID25236327
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)NCCC2=CCCCC2)c1C
InChIInChI=1S/C15H21NOS/c1-11-12(2)18-10-14(11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17)
InChIKeyNDDFBTONSGWPLG-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide (CID 25236327) is N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)NCCC2=CCCCC2)c1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NDDFBTONSGWPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-12(2)18-10-14(11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 263.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 25236327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).