N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide

C28H32FN3O6S — CID 90795331

IUPACN-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide
SMILESCCN(c1ccccc1O)S(=O)(=O)C(NC(=O)c1c(O)cccc1OC)(c1ccccc1F)C1CCNCC1
InChIInChI=1S/C28H32FN3O6S/c1-3-32(22-11-6-7-12-23(22)33)39(36,37)28(19-15-17-30-18-16-19,20-9-4-5-10-21(20)29)31-27(35)26-24(34)13-8-14-25(26)38-2/h4-14,19,30,33-34H,3,15-18H2,1-2H3,(H,31,35)
InChIKeyIEQRBFBTECYOBD-UHFFFAOYSA-N
MW557.64 g/mol
LogP3.68
Rot. Bonds9

About N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide

N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide (PubChem CID 90795331) has the molecular formula C28H32FN3O6S and a molecular weight of 557.64 g/mol. Its IUPAC name is N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound NameN-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide
PubChem CID90795331
Molecular FormulaC28H32FN3O6S
Molecular Weight557.64 g/mol
Exact Mass557.20
IUPAC NameN-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide
SMILESCCN(c1ccccc1O)S(=O)(=O)C(NC(=O)c1c(O)cccc1OC)(c1ccccc1F)C1CCNCC1
InChIInChI=1S/C28H32FN3O6S/c1-3-32(22-11-6-7-12-23(22)33)39(36,37)28(19-15-17-30-18-16-19,20-9-4-5-10-21(20)29)31-27(35)26-24(34)13-8-14-25(26)38-2/h4-14,19,30,33-34H,3,15-18H2,1-2H3,(H,31,35)
InChIKeyIEQRBFBTECYOBD-UHFFFAOYSA-N
XLogP3.68
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.64
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-fluorophenyl)-piperidin-4-yl-sulfamoylmethyl]-2-methoxybenzamide
CID 91026759
N-[dimethylsulfamoyl-[4-(2-fluorophenyl)piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 67428801
2-fluoro-6-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 65434238
2-methoxy-N-[piperidin-4-yl-thiophen-2-yl-(2,2,2-trifluoroethylsulfamoyl)methyl]benzamide
CID 68885296
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-ethyl-2,6-dihydroxy-N-piperidin-4-ylbenzamide
CID 107688542
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide?
The IUPAC name of N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide (CID 90795331) is N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide.
What is the SMILES notation for N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide?
The canonical SMILES for N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide is CCN(c1ccccc1O)S(=O)(=O)C(NC(=O)c1c(O)cccc1OC)(c1ccccc1F)C1CCNCC1.
What is the InChIKey of N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide?
The InChIKey is IEQRBFBTECYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O6S/c1-3-32(22-11-6-7-12-23(22)33)39(36,37)28(19-15-17-30-18-16-19,20-9-4-5-10-21(20)29)31-27(35)26-24(34)13-8-14-25(26)38-2/h4-14,19,30,33-34H,3,15-18H2,1-2H3,(H,31,35).
What are the key properties of N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide?
N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide has a molecular weight of 557.64 g/mol, XLogP of 3.68, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl-(2-hydroxyphenyl)sulfamoyl]-(2-fluorophenyl)-piperidin-4-ylmethyl]-2-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 90795331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).