1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide

C23H26F2N2O3S — CID 24614549

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C23H26F2N2O3S/c24-19-7-8-20(25)21(15-19)31(29,30)27-13-9-17(10-14-27)22(28)26-16-23(11-4-12-23)18-5-2-1-3-6-18/h1-3,5-8,15,17H,4,9-14,16H2,(H,26,28)
InChIKeyVBTWGLDXCGIXHW-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.60
Rot. Bonds6

About 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide (PubChem CID 24614549) has the molecular formula C23H26F2N2O3S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
PubChem CID24614549
Molecular FormulaC23H26F2N2O3S
Molecular Weight448.54 g/mol
Exact Mass448.16
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C23H26F2N2O3S/c24-19-7-8-20(25)21(15-19)31(29,30)27-13-9-17(10-14-27)22(28)26-16-23(11-4-12-23)18-5-2-1-3-6-18/h1-3,5-8,15,17H,4,9-14,16H2,(H,26,28)
InChIKeyVBTWGLDXCGIXHW-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60573498
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
CID 55781036
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
1-(2,5-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 55583452
1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 17430236
1-(2,5-difluorophenyl)sulfonyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120827948
N-(3-bromophenyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46823369
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492
1-(2,5-difluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119454029

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide (CID 24614549) is 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide is O=C(NCC1(c2ccccc2)CCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide?
The InChIKey is VBTWGLDXCGIXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3S/c24-19-7-8-20(25)21(15-19)31(29,30)27-13-9-17(10-14-27)22(28)26-16-23(11-4-12-23)18-5-2-1-3-6-18/h1-3,5-8,15,17H,4,9-14,16H2,(H,26,28).
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide?
1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24614549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).