3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

C17H23F3N2O3S2 — CID 24670564

IUPAC3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H23F3N2O3S2/c18-17(19,20)12-5-4-6-13(11-12)21-16(23)15-14(7-10-26-15)27(24,25)22-8-2-1-3-9-22/h7,10,12-13H,1-6,8-9,11H2,(H,21,23)
InChIKeyXUALDPBZKCNCMU-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.77
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide

3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 24670564) has the molecular formula C17H23F3N2O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID24670564
Molecular FormulaC17H23F3N2O3S2
Molecular Weight424.51 g/mol
Exact Mass424.11
IUPAC Name3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H23F3N2O3S2/c18-17(19,20)12-5-4-6-13(11-12)21-16(23)15-14(7-10-26-15)27(24,25)22-8-2-1-3-9-22/h7,10,12-13H,1-6,8-9,11H2,(H,21,23)
InChIKeyXUALDPBZKCNCMU-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119475088
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 27374234
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 49073387
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621442
N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076860
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
CID 133333855
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide (CID 24670564) is 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is XUALDPBZKCNCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3S2/c18-17(19,20)12-5-4-6-13(11-12)21-16(23)15-14(7-10-26-15)27(24,25)22-8-2-1-3-9-22/h7,10,12-13H,1-6,8-9,11H2,(H,21,23).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide?
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 24670564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).