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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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-methoxybenzamide
CID 2811596
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzenesulfonamide
CID 10239546
1-[2-Fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(4-methoxyanilino)piperidin-2-one
CID 22313515
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 2998546
2-(4-tert-butylphenyl)-N-(2-fluorophenyl)-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3989993
N-(4-ethylphenyl)-4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}benzamide
CID 4229425
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-3-methoxybenzenesulfonamide
CID 10324772
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 16229441
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 25162854
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 25162881
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25163677

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).