N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide

C12H14FNOS — CID 163869327

IUPACN-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide
SMILESCC1(NC(=O)c2cccs2)CCC=CC1F
InChIInChI=1S/C12H14FNOS/c1-12(7-3-2-6-10(12)13)14-11(15)9-5-4-8-16-9/h2,4-6,8,10H,3,7H2,1H3,(H,14,15)
InChIKeyPJKKBQIHLKHYBD-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.92
Rot. Bonds2

About N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide

N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide (PubChem CID 163869327) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide
PubChem CID163869327
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC NameN-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide
SMILESCC1(NC(=O)c2cccs2)CCC=CC1F
InChIInChI=1S/C12H14FNOS/c1-12(7-3-2-6-10(12)13)14-11(15)9-5-4-8-16-9/h2,4-6,8,10H,3,7H2,1H3,(H,14,15)
InChIKeyPJKKBQIHLKHYBD-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(chloromethyl)oxan-4-yl]thiophene-2-carboxamide
CID 106300315
N-[1-(4-methoxyphenyl)cyclopropyl]thiophene-2-carboxamide
CID 113091117
N-[1-(bromomethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 114314592
N-(1-carbamothioylcyclohexyl)thiophene-2-carboxamide
CID 61121515
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid
CID 84559514
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]thiophene-2-carboxamide
CID 7107011
N-sulfanylthiophene-2-carboxamide
CID 87476143
N-[(1R,2S)-6-cyano-2-methyl-1-phenyl-1,3-dihydroinden-2-yl]thiophene-2-carboxamide
CID 69088896
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide (CID 163869327) is N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide is CC1(NC(=O)c2cccs2)CCC=CC1F.
What is the InChIKey of N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide?
The InChIKey is PJKKBQIHLKHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-12(7-3-2-6-10(12)13)14-11(15)9-5-4-8-16-9/h2,4-6,8,10H,3,7H2,1H3,(H,14,15).
What are the key properties of N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide?
N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide has a molecular weight of 239.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 163869327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).