N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide

C26H25FN2O5S — CID 22313526

IUPACN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
InChIInChI=1S/C26H25FN2O5S/c1-34-19-12-9-17(10-13-19)25(30)28-22-7-5-15-29(26(22)31)23-14-11-18(16-21(23)27)20-6-3-4-8-24(20)35(2,32)33/h3-4,6,8-14,16,22H,5,7,15H2,1-2H3,(H,28,30)
InChIKeyNGUIRKKSBRTROM-UHFFFAOYSA-N
MW496.56 g/mol
LogP3.83
Rot. Bonds6

About N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide

N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide (PubChem CID 22313526) has the molecular formula C26H25FN2O5S and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
PubChem CID22313526
Molecular FormulaC26H25FN2O5S
Molecular Weight496.56 g/mol
Exact Mass496.15
IUPAC NameN-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1
InChIInChI=1S/C26H25FN2O5S/c1-34-19-12-9-17(10-13-19)25(30)28-22-7-5-15-29(26(22)31)23-14-11-18(16-21(23)27)20-6-3-4-8-24(20)35(2,32)33/h3-4,6,8-14,16,22H,5,7,15H2,1-2H3,(H,28,30)
InChIKeyNGUIRKKSBRTROM-UHFFFAOYSA-N
XLogP3.83
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide (CID 22313526) is N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)cc1.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide?
The InChIKey is NGUIRKKSBRTROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O5S/c1-34-19-12-9-17(10-13-19)25(30)28-22-7-5-15-29(26(22)31)23-14-11-18(16-21(23)27)20-6-3-4-8-24(20)35(2,32)33/h3-4,6,8-14,16,22H,5,7,15H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide?
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide has a molecular weight of 496.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 22313526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).