5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H19F3N2O4S — CID 86944084

IUPAC5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)o1
InChIInChI=1S/C18H19F3N2O4S/c1-28(25,26)16-8-7-15(27-16)17(24)22-13-11-12(18(19,20)21)5-6-14(13)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyBEEWWPWLIHVWKH-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.94
Rot. Bonds4

About 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide

5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 86944084) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID86944084
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)o1
InChIInChI=1S/C18H19F3N2O4S/c1-28(25,26)16-8-7-15(27-16)17(24)22-13-11-12(18(19,20)21)5-6-14(13)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyBEEWWPWLIHVWKH-UHFFFAOYSA-N
XLogP3.94
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 29427087
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 46483332
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117717
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 86944084) is 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is CS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)o1.
What is the InChIKey of 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is BEEWWPWLIHVWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-28(25,26)16-8-7-15(27-16)17(24)22-13-11-12(18(19,20)21)5-6-14(13)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3,(H,22,24).
What are the key properties of 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 416.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86944084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).