N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide

C24H27FN4O5S — CID 23600975

IUPACN-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCC1(c2cccc(F)c2)CCN(S(=O)(=O)n2ccnc2C)CC1
InChIInChI=1S/C24H27FN4O5S/c1-17-26-11-14-29(17)35(32,33)28-12-9-24(10-13-28,18-5-3-6-19(25)15-18)16-27-23(31)22-20(30)7-4-8-21(22)34-2/h3-8,11,14-15,30H,9-10,12-13,16H2,1-2H3,(H,27,31)
InChIKeyPNFSGLPDWXAZMA-UHFFFAOYSA-N
MW502.57 g/mol
LogP2.60
Rot. Bonds7

About N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide

N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide (PubChem CID 23600975) has the molecular formula C24H27FN4O5S and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
PubChem CID23600975
Molecular FormulaC24H27FN4O5S
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC NameN-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(O)c1C(=O)NCC1(c2cccc(F)c2)CCN(S(=O)(=O)n2ccnc2C)CC1
InChIInChI=1S/C24H27FN4O5S/c1-17-26-11-14-29(17)35(32,33)28-12-9-24(10-13-28,18-5-3-6-19(25)15-18)16-27-23(31)22-20(30)7-4-8-21(22)34-2/h3-8,11,14-15,30H,9-10,12-13,16H2,1-2H3,(H,27,31)
InChIKeyPNFSGLPDWXAZMA-UHFFFAOYSA-N
XLogP2.60
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 23600971
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 23600437
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
N-[[1-ethylsulfonyl-4-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-2,4,6-trifluorobenzamide
CID 59003504
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
CID 118791601
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[[4-(3-fluorophenyl)-1-(2-methoxyphenyl)piperidin-4-yl]methyl]urea;dihydrochloride
CID 44590623
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide (CID 23600975) is N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide is COc1cccc(O)c1C(=O)NCC1(c2cccc(F)c2)CCN(S(=O)(=O)n2ccnc2C)CC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
The InChIKey is PNFSGLPDWXAZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5S/c1-17-26-11-14-29(17)35(32,33)28-12-9-24(10-13-28,18-5-3-6-19(25)15-18)16-27-23(31)22-20(30)7-4-8-21(22)34-2/h3-8,11,14-15,30H,9-10,12-13,16H2,1-2H3,(H,27,31).
What are the key properties of N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide?
N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide has a molecular weight of 502.57 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 23600975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).