1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C17H17F3N2O4S2 — CID 15988672

IUPAC1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H17F3N2O4S2/c18-17(19,20)26-14-5-3-13(4-6-14)21-16(23)12-7-9-22(10-8-12)28(24,25)15-2-1-11-27-15/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyJXJRJZAWVYIILO-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.69
Rot. Bonds5

About 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 15988672) has the molecular formula C17H17F3N2O4S2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID15988672
Molecular FormulaC17H17F3N2O4S2
Molecular Weight434.46 g/mol
Exact Mass434.06
IUPAC Name1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H17F3N2O4S2/c18-17(19,20)26-14-5-3-13(4-6-14)21-16(23)12-7-9-22(10-8-12)28(24,25)15-2-1-11-27-15/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyJXJRJZAWVYIILO-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
N-1,3-benzodioxol-5-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 1535321
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3245817
N-(3,4-Dimethoxyphenyl)-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 4094700
N-(4-ethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810603
N-(4-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322907
1-(4-Methoxyphenyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
CID 15988659
[2-(4-Methoxyanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2369535
1-[2-[4-[Methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
CID 2373159
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
N~1~-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3242229
N~1~-(4-ethoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3243492

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 15988672) is 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is JXJRJZAWVYIILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S2/c18-17(19,20)26-14-5-3-13(4-6-14)21-16(23)12-7-9-22(10-8-12)28(24,25)15-2-1-11-27-15/h1-6,11-12H,7-10H2,(H,21,23).
What are the key properties of 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 15988672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).