N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

C26H28FN3O5S — CID 42601204

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C26H28FN3O5S/c1-34-25-5-3-2-4-23(25)29-36(32,33)22-12-8-20(9-13-22)26(31)28-18-24(30-14-16-35-17-15-30)19-6-10-21(27)11-7-19/h2-13,24,29H,14-18H2,1H3,(H,28,31)
InChIKeyWXNOUQQBHVLGLW-UHFFFAOYSA-N
MW513.59 g/mol
LogP3.44
Rot. Bonds9

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 42601204) has the molecular formula C26H28FN3O5S and a molecular weight of 513.59 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID42601204
Molecular FormulaC26H28FN3O5S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C26H28FN3O5S/c1-34-25-5-3-2-4-23(25)29-36(32,33)22-12-8-20(9-13-22)26(31)28-18-24(30-14-16-35-17-15-30)19-6-10-21(27)11-7-19/h2-13,24,29H,14-18H2,1H3,(H,28,31)
InChIKeyWXNOUQQBHVLGLW-UHFFFAOYSA-N
XLogP3.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 42601204) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is WXNOUQQBHVLGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5S/c1-34-25-5-3-2-4-23(25)29-36(32,33)22-12-8-20(9-13-22)26(31)28-18-24(30-14-16-35-17-15-30)19-6-10-21(27)11-7-19/h2-13,24,29H,14-18H2,1H3,(H,28,31).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 513.59 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42601204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).