1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

C18H27FN2O4S — CID 17018176

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C18H27FN2O4S/c1-13(2)6-9-20-18(22)14-7-10-21(11-8-14)26(23,24)17-12-15(19)4-5-16(17)25-3/h4-5,12-14H,6-11H2,1-3H3,(H,20,22)
InChIKeyOEYIYDAOKWSXFD-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.40
Rot. Bonds7

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 17018176) has the molecular formula C18H27FN2O4S and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID17018176
Molecular FormulaC18H27FN2O4S
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C18H27FN2O4S/c1-13(2)6-9-20-18(22)14-7-10-21(11-8-14)26(23,24)17-12-15(19)4-5-16(17)25-3/h4-5,12-14H,6-11H2,1-3H3,(H,20,22)
InChIKeyOEYIYDAOKWSXFD-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 17018156
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874975
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 24640967
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17018169
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
N-[1-(3-bromophenyl)ethyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873160
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide
CID 125043565

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (CID 17018176) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is OEYIYDAOKWSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4S/c1-13(2)6-9-20-18(22)14-7-10-21(11-8-14)26(23,24)17-12-15(19)4-5-16(17)25-3/h4-5,12-14H,6-11H2,1-3H3,(H,20,22).
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 17018176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).