N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C23H30FN3O3S — CID 55535881

IUPACN-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C23H30FN3O3S/c1-17(2)21(26-19-8-4-3-5-9-19)16-25-23(28)18-12-14-27(15-13-18)31(29,30)22-11-7-6-10-20(22)24/h3-11,17-18,21,26H,12-16H2,1-2H3,(H,25,28)
InChIKeyJCCVICIANZRJEF-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.48
Rot. Bonds8

About N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55535881) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55535881
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC NameN-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C23H30FN3O3S/c1-17(2)21(26-19-8-4-3-5-9-19)16-25-23(28)18-12-14-27(15-13-18)31(29,30)22-11-7-6-10-20(22)24/h3-11,17-18,21,26H,12-16H2,1-2H3,(H,25,28)
InChIKeyJCCVICIANZRJEF-UHFFFAOYSA-N
XLogP3.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55420117
1-(2,5-difluorophenyl)sulfonyl-N-(2,2-diphenylethyl)piperidine-4-carboxamide
CID 27770594
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
1-(2-fluorophenyl)sulfonyl-N-(4-iodophenyl)piperidine-4-carboxamide
CID 24640994
1-(2-fluorophenyl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794457
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55535881) is N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is CC(C)C(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JCCVICIANZRJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-17(2)21(26-19-8-4-3-5-9-19)16-25-23(28)18-12-14-27(15-13-18)31(29,30)22-11-7-6-10-20(22)24/h3-11,17-18,21,26H,12-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55535881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).