N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide

C19H27FN2O4S — CID 91906212

IUPACN-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C19H27FN2O4S/c1-14-3-4-16(20)13-19(14)27(24,25)21-9-5-17(6-10-21)22(15(2)23)18-7-11-26-12-8-18/h3-4,13,17-18H,5-12H2,1-2H3
InChIKeyGGOWVPSLKAEVCG-UHFFFAOYSA-N
MW398.50 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide

N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 91906212) has the molecular formula C19H27FN2O4S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID91906212
Molecular FormulaC19H27FN2O4S
Molecular Weight398.50 g/mol
Exact Mass398.17
IUPAC NameN-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1
InChIInChI=1S/C19H27FN2O4S/c1-14-3-4-16(20)13-19(14)27(24,25)21-9-5-17(6-10-21)22(15(2)23)18-7-11-26-12-8-18/h3-4,13,17-18H,5-12H2,1-2H3
InChIKeyGGOWVPSLKAEVCG-UHFFFAOYSA-N
XLogP2.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 91906212) is N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide is CC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1.
What is the InChIKey of N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is GGOWVPSLKAEVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4S/c1-14-3-4-16(20)13-19(14)27(24,25)21-9-5-17(6-10-21)22(15(2)23)18-7-11-26-12-8-18/h3-4,13,17-18H,5-12H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide?
N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 398.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).