1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C19H19F3N2O2S2 — CID 86898488

IUPAC1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2sccc2SC(F)F)CC1
InChIInChI=1S/C19H19F3N2O2S2/c20-14-3-1-12(2-4-14)11-23-17(25)13-5-8-24(9-6-13)18(26)16-15(7-10-27-16)28-19(21)22/h1-4,7,10,13,19H,5-6,8-9,11H2,(H,23,25)
InChIKeyVEEFBPLNBYNHAN-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.37
Rot. Bonds6

About 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 86898488) has the molecular formula C19H19F3N2O2S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID86898488
Molecular FormulaC19H19F3N2O2S2
Molecular Weight428.50 g/mol
Exact Mass428.08
IUPAC Name1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2sccc2SC(F)F)CC1
InChIInChI=1S/C19H19F3N2O2S2/c20-14-3-1-12(2-4-14)11-23-17(25)13-5-8-24(9-6-13)18(26)16-15(7-10-27-16)28-19(21)22/h1-4,7,10,13,19H,5-6,8-9,11H2,(H,23,25)
InChIKeyVEEFBPLNBYNHAN-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-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-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(4-fluorophenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78902093
1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 136534473
N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86897443
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46476068
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
N-[(4-fluorophenyl)methyl]-1-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxamide
CID 87020602
N-[(4-fluorophenyl)methyl]-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 87046269
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 86898488) is 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2sccc2SC(F)F)CC1.
What is the InChIKey of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VEEFBPLNBYNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S2/c20-14-3-1-12(2-4-14)11-23-17(25)13-5-8-24(9-6-13)18(26)16-15(7-10-27-16)28-19(21)22/h1-4,7,10,13,19H,5-6,8-9,11H2,(H,23,25).
What are the key properties of 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86898488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).