N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide

C18H17F3N2O2S2 — CID 86897443

IUPACN-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2sccc2SC(F)F)CC1)c1ccccc1F
InChIInChI=1S/C18H17F3N2O2S2/c19-13-4-2-1-3-12(13)16(24)22-11-5-8-23(9-6-11)17(25)15-14(7-10-26-15)27-18(20)21/h1-4,7,10-11,18H,5-6,8-9H2,(H,22,24)
InChIKeyNJNYWADZSZQNOL-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.24
Rot. Bonds5

About N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide

N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide (PubChem CID 86897443) has the molecular formula C18H17F3N2O2S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide
PubChem CID86897443
Molecular FormulaC18H17F3N2O2S2
Molecular Weight414.47 g/mol
Exact Mass414.07
IUPAC NameN-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2sccc2SC(F)F)CC1)c1ccccc1F
InChIInChI=1S/C18H17F3N2O2S2/c19-13-4-2-1-3-12(13)16(24)22-11-5-8-23(9-6-11)17(25)15-14(7-10-26-15)27-18(20)21/h1-4,7,10-11,18H,5-6,8-9H2,(H,22,24)
InChIKeyNJNYWADZSZQNOL-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-[1-[[4-(difluoromethylsulfanyl)phenyl]carbamothioyl]piperidin-4-yl]-2-fluorobenzamide
CID 43076626
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
CID 24644251
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide (CID 86897443) is N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide is O=C(NC1CCN(C(=O)c2sccc2SC(F)F)CC1)c1ccccc1F.
What is the InChIKey of N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is NJNYWADZSZQNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S2/c19-13-4-2-1-3-12(13)16(24)22-11-5-8-23(9-6-11)17(25)15-14(7-10-26-15)27-18(20)21/h1-4,7,10-11,18H,5-6,8-9H2,(H,22,24).
What are the key properties of N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide?
N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 414.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 86897443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).