N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide

C18H17F3N2O3S — CID 24660101

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)27-15-3-1-12(2-4-15)16(24)22-14-5-8-23(9-6-14)17(25)13-7-10-26-11-13/h1-4,7,10-11,14H,5-6,8-9H2,(H,22,24)
InChIKeyHNIBVVCHUAVNNE-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 24660101) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID24660101
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3S/c19-18(20,21)27-15-3-1-12(2-4-15)16(24)22-14-5-8-23(9-6-14)17(25)13-7-10-26-11-13/h1-4,7,10-11,14H,5-6,8-9H2,(H,22,24)
InChIKeyHNIBVVCHUAVNNE-UHFFFAOYSA-N
XLogP3.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-cyclopropylfuran-3-carboxamide
CID 60698418
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 43393959
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
3-cyano-N-[1-(furan-3-carbonyl)piperidin-4-yl]benzamide
CID 38209527
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,4-dipropoxybenzamide
CID 38211238
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide (CID 24660101) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is HNIBVVCHUAVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-18(20,21)27-15-3-1-12(2-4-15)16(24)22-14-5-8-23(9-6-14)17(25)13-7-10-26-11-13/h1-4,7,10-11,14H,5-6,8-9H2,(H,22,24).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 24660101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).