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

C18H20F3N3O4S — CID 55676456

IUPAC5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)o1
InChIInChI=1S/C18H20F3N3O4S/c1-22-29(26,27)16-8-7-15(28-16)17(25)23-13-11-12(18(19,20)21)5-6-14(13)24-9-3-2-4-10-24/h5-8,11,22H,2-4,9-10H2,1H3,(H,23,25)
InChIKeySMSFLPDKPYWNDS-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.45
Rot. Bonds5

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

5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55676456) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID55676456
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC Name5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)o1
InChIInChI=1S/C18H20F3N3O4S/c1-22-29(26,27)16-8-7-15(28-16)17(25)23-13-11-12(18(19,20)21)5-6-14(13)24-9-3-2-4-10-24/h5-8,11,22H,2-4,9-10H2,1H3,(H,23,25)
InChIKeySMSFLPDKPYWNDS-UHFFFAOYSA-N
XLogP3.45
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
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
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
5-(3-chlorophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115725

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55676456) is 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)o1.
What is the InChIKey of 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is SMSFLPDKPYWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4S/c1-22-29(26,27)16-8-7-15(28-16)17(25)23-13-11-12(18(19,20)21)5-6-14(13)24-9-3-2-4-10-24/h5-8,11,22H,2-4,9-10H2,1H3,(H,23,25).
What are the key properties of 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55676456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).