N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C26H28FN3O5S — CID 24981088

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C26H28FN3O5S/c1-34-25-8-3-2-7-23(25)29-36(32,33)22-6-4-5-20(17-22)26(31)28-18-24(30-13-15-35-16-14-30)19-9-11-21(27)12-10-19/h2-12,17,24,29H,13-16,18H2,1H3,(H,28,31)
InChIKeyMZTKXSQTKTYBDI-UHFFFAOYSA-N
MW513.59 g/mol
LogP3.44
Rot. Bonds9

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24981088) 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]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24981088
Molecular FormulaC26H28FN3O5S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1
InChIInChI=1S/C26H28FN3O5S/c1-34-25-8-3-2-7-23(25)29-36(32,33)22-6-4-5-20(17-22)26(31)28-18-24(30-13-15-35-16-14-30)19-9-11-21(27)12-10-19/h2-12,17,24,29H,13-16,18H2,1H3,(H,28,31)
InChIKeyMZTKXSQTKTYBDI-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]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 24981088) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is MZTKXSQTKTYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5S/c1-34-25-8-3-2-7-23(25)29-36(32,33)22-6-4-5-20(17-22)26(31)28-18-24(30-13-15-35-16-14-30)19-9-11-21(27)12-10-19/h2-12,17,24,29H,13-16,18H2,1H3,(H,28,31).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(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]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24981088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).