2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide

C18H26FN3O4S — CID 69189183

IUPAC2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC(CC(=O)NN2CCOCC2)C1
InChIInChI=1S/C18H26FN3O4S/c1-14-4-5-16(19)12-17(14)27(24,25)22-6-2-3-15(13-22)11-18(23)20-21-7-9-26-10-8-21/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,23)
InChIKeyPPTMOLATTCOYON-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.29
Rot. Bonds5

About 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide

2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide (PubChem CID 69189183) has the molecular formula C18H26FN3O4S and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
PubChem CID69189183
Molecular FormulaC18H26FN3O4S
Molecular Weight399.49 g/mol
Exact Mass399.16
IUPAC Name2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCC(CC(=O)NN2CCOCC2)C1
InChIInChI=1S/C18H26FN3O4S/c1-14-4-5-16(19)12-17(14)27(24,25)22-6-2-3-15(13-22)11-18(23)20-21-7-9-26-10-8-21/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,23)
InChIKeyPPTMOLATTCOYON-UHFFFAOYSA-N
XLogP1.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
CID 24961532
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
methyl (3S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79031942
1-[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977686
2-[1-(5-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]acetic acid
CID 62689914
1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132458
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-(5-fluoro-2-methylphenyl)sulfonyl-3-isocyanatopiperidine
CID 43344378
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide (CID 69189183) is 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide is Cc1ccc(F)cc1S(=O)(=O)N1CCCC(CC(=O)NN2CCOCC2)C1.
What is the InChIKey of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
The InChIKey is PPTMOLATTCOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O4S/c1-14-4-5-16(19)12-17(14)27(24,25)22-6-2-3-15(13-22)11-18(23)20-21-7-9-26-10-8-21/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,23).
What are the key properties of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide has a molecular weight of 399.49 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 69189183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).