1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide

C23H27FN2O4S — CID 167556990

IUPAC1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
SMILESCC(=O)N1CCC(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)CC1
InChIInChI=1S/C23H27FN2O4S/c1-16-12-20(19-6-4-3-5-7-19)13-21(23(16)24)22(28)14-25-31(29,30)15-18-8-10-26(11-9-18)17(2)27/h3-7,12-13,18,25H,8-11,14-15H2,1-2H3
InChIKeyGGOXUGACJDYBPV-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.16
Rot. Bonds7

About 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide

1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide (PubChem CID 167556990) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
PubChem CID167556990
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
SMILESCC(=O)N1CCC(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)CC1
InChIInChI=1S/C23H27FN2O4S/c1-16-12-20(19-6-4-3-5-7-19)13-21(23(16)24)22(28)14-25-31(29,30)15-18-8-10-26(11-9-18)17(2)27/h3-7,12-13,18,25H,8-11,14-15H2,1-2H3
InChIKeyGGOXUGACJDYBPV-UHFFFAOYSA-N
XLogP3.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide (CID 167556990) is 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide is CC(=O)N1CCC(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide?
The InChIKey is GGOXUGACJDYBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-16-12-20(19-6-4-3-5-7-19)13-21(23(16)24)22(28)14-25-31(29,30)15-18-8-10-26(11-9-18)17(2)27/h3-7,12-13,18,25H,8-11,14-15H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide?
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide has a molecular weight of 446.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 167556990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).