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

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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).