3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide

C23H24N2O4S — CID 126395833

IUPAC3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-24-30(27,28)20-15-12-18(13-16-20)14-17-23(26)25-21-10-6-7-11-22(21)29-19-8-4-3-5-9-19/h3-13,15-16,24H,2,14,17H2,1H3,(H,25,26)
InChIKeyMKXVRQFAHKIIAV-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.35
Rot. Bonds9

About 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide

3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide (PubChem CID 126395833) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide
PubChem CID126395833
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-24-30(27,28)20-15-12-18(13-16-20)14-17-23(26)25-21-10-6-7-11-22(21)29-19-8-4-3-5-9-19/h3-13,15-16,24H,2,14,17H2,1H3,(H,25,26)
InChIKeyMKXVRQFAHKIIAV-UHFFFAOYSA-N
XLogP4.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
N-[2-(4-ethoxyphenoxy)phenyl]-4-(ethylsulfamoyl)benzamide
CID 39971958
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 126267768
3-(4-ethylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 108795900
N-(2-phenoxyphenyl)decanamide
CID 4091110
N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide (CID 126395833) is 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is MKXVRQFAHKIIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-2-24-30(27,28)20-15-12-18(13-16-20)14-17-23(26)25-21-10-6-7-11-22(21)29-19-8-4-3-5-9-19/h3-13,15-16,24H,2,14,17H2,1H3,(H,25,26).
What are the key properties of 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide?
3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 424.52 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 126395833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).