N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H25F3N2O3S2 — CID 55661970

IUPACN-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C17H25F3N2O3S2/c1-3-4-9-21(12-17(18,19)20)16(23)14-6-5-10-22(11-14)27(24,25)15-8-7-13(2)26-15/h7-8,14H,3-6,9-12H2,1-2H3
InChIKeyFXSBPKCMZDTRTC-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.65
Rot. Bonds7

About N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 55661970) has the molecular formula C17H25F3N2O3S2 and a molecular weight of 426.53 g/mol. Its IUPAC name is N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID55661970
Molecular FormulaC17H25F3N2O3S2
Molecular Weight426.53 g/mol
Exact Mass426.13
IUPAC NameN-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C17H25F3N2O3S2/c1-3-4-9-21(12-17(18,19)20)16(23)14-6-5-10-22(11-14)27(24,25)15-8-7-13(2)26-15/h7-8,14H,3-6,9-12H2,1-2H3
InChIKeyFXSBPKCMZDTRTC-UHFFFAOYSA-N
XLogP3.65
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55664490
N-(2-methoxyethyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-pentan-3-ylpiperidine-3-carboxamide
CID 55663936
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079
N-(2-fluorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 75419057
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
(3R)-N-methyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
CID 35368613
N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661720

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 55661970) is N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is FXSBPKCMZDTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3S2/c1-3-4-9-21(12-17(18,19)20)16(23)14-6-5-10-22(11-14)27(24,25)15-8-7-13(2)26-15/h7-8,14H,3-6,9-12H2,1-2H3.
What are the key properties of N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55661970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).