3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide

C24H24F2N2O5S — CID 55651750

IUPAC3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3c(F)cccc3F)ccc2OC)cc1
InChIInChI=1S/C24H24F2N2O5S/c1-3-33-18-10-7-16(8-11-18)28-34(30,31)23-15-17(9-13-22(23)32-2)27-24(29)14-12-19-20(25)5-4-6-21(19)26/h4-11,13,15,28H,3,12,14H2,1-2H3,(H,27,29)
InChIKeyUITOJNLLBFASDZ-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.74
Rot. Bonds10

About 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide

3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide (PubChem CID 55651750) has the molecular formula C24H24F2N2O5S and a molecular weight of 490.53 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
PubChem CID55651750
Molecular FormulaC24H24F2N2O5S
Molecular Weight490.53 g/mol
Exact Mass490.14
IUPAC Name3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3c(F)cccc3F)ccc2OC)cc1
InChIInChI=1S/C24H24F2N2O5S/c1-3-33-18-10-7-16(8-11-18)28-34(30,31)23-15-17(9-13-22(23)32-2)27-24(29)14-12-19-20(25)5-4-6-21(19)26/h4-11,13,15,28H,3,12,14H2,1-2H3,(H,27,29)
InChIKeyUITOJNLLBFASDZ-UHFFFAOYSA-N
XLogP4.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 30707064
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
CID 26259494
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 3484295
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 35745392
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide (CID 55651750) is 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3c(F)cccc3F)ccc2OC)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
The InChIKey is UITOJNLLBFASDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O5S/c1-3-33-18-10-7-16(8-11-18)28-34(30,31)23-15-17(9-13-22(23)32-2)27-24(29)14-12-19-20(25)5-4-6-21(19)26/h4-11,13,15,28H,3,12,14H2,1-2H3,(H,27,29).
What are the key properties of 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide has a molecular weight of 490.53 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 55651750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).