4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide

C23H23N3O4S — CID 126368002

IUPAC4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-16-2-9-20(10-3-16)26-31(29,30)21-13-4-17(5-14-21)6-15-22(27)25-19-11-7-18(8-12-19)23(24)28/h2-5,7-14,26H,6,15H2,1H3,(H2,24,28)(H,25,27)
InChIKeyUTQQZBNMQXCYLV-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.47
Rot. Bonds8

About 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide

4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide (PubChem CID 126368002) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
PubChem CID126368002
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H23N3O4S/c1-16-2-9-20(10-3-16)26-31(29,30)21-13-4-17(5-14-21)6-15-22(27)25-19-11-7-18(8-12-19)23(24)28/h2-5,7-14,26H,6,15H2,1H3,(H2,24,28)(H,25,27)
InChIKeyUTQQZBNMQXCYLV-UHFFFAOYSA-N
XLogP3.47
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
CID 126185320
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide?
The IUPAC name of 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide (CID 126368002) is 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide?
The InChIKey is UTQQZBNMQXCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16-2-9-20(10-3-16)26-31(29,30)21-13-4-17(5-14-21)6-15-22(27)25-19-11-7-18(8-12-19)23(24)28/h2-5,7-14,26H,6,15H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide?
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide is sourced from PubChem (CID 126368002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).