N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide

C24H25FN2O5S — CID 30707064

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(F)cc3)ccc2OC)cc1
InChIInChI=1S/C24H25FN2O5S/c1-3-32-21-12-9-19(10-13-21)27-33(29,30)23-16-20(11-14-22(23)31-2)26-24(28)15-6-17-4-7-18(25)8-5-17/h4-5,7-14,16,27H,3,6,15H2,1-2H3,(H,26,28)
InChIKeyJRFBLPYGLIGLKN-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.61
Rot. Bonds10

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide (PubChem CID 30707064) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
PubChem CID30707064
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(F)cc3)ccc2OC)cc1
InChIInChI=1S/C24H25FN2O5S/c1-3-32-21-12-9-19(10-13-21)27-33(29,30)23-16-20(11-14-22(23)31-2)26-24(28)15-6-17-4-7-18(25)8-5-17/h4-5,7-14,16,27H,3,6,15H2,1-2H3,(H,26,28)
InChIKeyJRFBLPYGLIGLKN-UHFFFAOYSA-N
XLogP4.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
3-(2,6-difluorophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 55651750
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
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 35745392
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide (CID 30707064) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCc3ccc(F)cc3)ccc2OC)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is JRFBLPYGLIGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-3-32-21-12-9-19(10-13-21)27-33(29,30)23-16-20(11-14-22(23)31-2)26-24(28)15-6-17-4-7-18(25)8-5-17/h4-5,7-14,16,27H,3,6,15H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 472.54 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 30707064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).