(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide

C21H26FN3O3S — CID 86966235

IUPAC(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)c1
InChIInChI=1S/C21H26FN3O3S/c1-15-10-11-19(22)20(13-15)25-12-6-7-17(14-25)23-21(26)16(2)24-29(27,28)18-8-4-3-5-9-18/h3-5,8-11,13,16-17,24H,6-7,12,14H2,1-2H3,(H,23,26)/t16-,17?/m0/s1
InChIKeyGPJAOBGEQYHVBS-BHWOMJMDSA-N
MW419.52 g/mol
LogP2.59
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide

(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide (PubChem CID 86966235) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
PubChem CID86966235
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)c1
InChIInChI=1S/C21H26FN3O3S/c1-15-10-11-19(22)20(13-15)25-12-6-7-17(14-25)23-21(26)16(2)24-29(27,28)18-8-4-3-5-9-18/h3-5,8-11,13,16-17,24H,6-7,12,14H2,1-2H3,(H,23,26)/t16-,17?/m0/s1
InChIKeyGPJAOBGEQYHVBS-BHWOMJMDSA-N
XLogP2.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
3-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97069908
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 86966202
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 86965317
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 86965282

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide (CID 86966235) is (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide is Cc1ccc(F)c(N2CCCC(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3)C2)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
The InChIKey is GPJAOBGEQYHVBS-BHWOMJMDSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-15-10-11-19(22)20(13-15)25-12-6-7-17(14-25)23-21(26)16(2)24-29(27,28)18-8-4-3-5-9-18/h3-5,8-11,13,16-17,24H,6-7,12,14H2,1-2H3,(H,23,26)/t16-,17?/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide has a molecular weight of 419.52 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 86966235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).