1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide

C23H28F2N2O3S — CID 55675373

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1
InChIInChI=1S/C23H28F2N2O3S/c1-16(2)20(17-6-4-3-5-7-17)15-26-23(28)18-10-12-27(13-11-18)31(29,30)19-8-9-21(24)22(25)14-19/h3-9,14,16,18,20H,10-13,15H2,1-2H3,(H,26,28)
InChIKeyXPXKTRWLJILINT-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.92
Rot. Bonds7

About 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide

1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide (PubChem CID 55675373) has the molecular formula C23H28F2N2O3S and a molecular weight of 450.55 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide
PubChem CID55675373
Molecular FormulaC23H28F2N2O3S
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1
InChIInChI=1S/C23H28F2N2O3S/c1-16(2)20(17-6-4-3-5-7-17)15-26-23(28)18-10-12-27(13-11-18)31(29,30)19-8-9-21(24)22(25)14-19/h3-9,14,16,18,20H,10-13,15H2,1-2H3,(H,26,28)
InChIKeyXPXKTRWLJILINT-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 51159101
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(3,4-difluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35747322
1-(3,4-difluorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 46410411
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46554409
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376283
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650068
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-(1-benzothiophen-3-ylmethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55785759
1-(3,4-difluorophenyl)sulfonyl-N-[3-(4-fluorophenyl)sulfanylpropyl]piperidine-4-carboxamide
CID 26635658

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide (CID 55675373) is 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is XPXKTRWLJILINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O3S/c1-16(2)20(17-6-4-3-5-7-17)15-26-23(28)18-10-12-27(13-11-18)31(29,30)19-8-9-21(24)22(25)14-19/h3-9,14,16,18,20H,10-13,15H2,1-2H3,(H,26,28).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide?
1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 450.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-(3-methyl-2-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 55675373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).