3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide

C23H22N2O4S — CID 177005008

IUPAC3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-24-30(28,29)21-14-12-20(13-15-21)25-22(26)16-9-17-7-10-19(11-8-17)23(27)18-5-3-2-4-6-18/h2-8,10-15,24H,9,16H2,1H3,(H,25,26)
InChIKeyWBTHTCMWNGNIHQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.40
Rot. Bonds8

About 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide

3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 177005008) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID177005008
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O4S/c1-24-30(28,29)21-14-12-20(13-15-21)25-22(26)16-9-17-7-10-19(11-8-17)23(27)18-5-3-2-4-6-18/h2-8,10-15,24H,9,16H2,1H3,(H,25,26)
InChIKeyWBTHTCMWNGNIHQ-UHFFFAOYSA-N
XLogP3.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
3-[4-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 119252165
N-[4-(methylcarbamoylamino)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46518240
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
3-[4-(methylsulfamoyl)phenyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]propanamide
CID 55619533
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55900939
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 2947595

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide (CID 177005008) is 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is WBTHTCMWNGNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-24-30(28,29)21-14-12-20(13-15-21)25-22(26)16-9-17-7-10-19(11-8-17)23(27)18-5-3-2-4-6-18/h2-8,10-15,24H,9,16H2,1H3,(H,25,26).
What are the key properties of 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide?
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 422.51 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 177005008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).