N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

C28H25N3O4S — CID 55868933

IUPACN-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)c1
InChIInChI=1S/C28H25N3O4S/c1-19-11-12-20(2)26(17-19)36(34,35)31-23-15-13-22(14-16-23)28(33)30-25-10-6-9-24(18-25)29-27(32)21-7-4-3-5-8-21/h3-18,31H,1-2H3,(H,29,32)(H,30,33)
InChIKeyMBEBBHHJOOIJBK-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.61
Rot. Bonds7

About N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (PubChem CID 55868933) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
PubChem CID55868933
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC NameN-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)c1
InChIInChI=1S/C28H25N3O4S/c1-19-11-12-20(2)26(17-19)36(34,35)31-23-15-13-22(14-16-23)28(33)30-25-10-6-9-24(18-25)29-27(32)21-7-4-3-5-8-21/h3-18,31H,1-2H3,(H,29,32)(H,30,33)
InChIKeyMBEBBHHJOOIJBK-UHFFFAOYSA-N
XLogP5.61
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1252514

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide (CID 55868933) is N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)cc2)c1.
What is the InChIKey of N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
The InChIKey is MBEBBHHJOOIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-19-11-12-20(2)26(17-19)36(34,35)31-23-15-13-22(14-16-23)28(33)30-25-10-6-9-24(18-25)29-27(32)21-7-4-3-5-8-21/h3-18,31H,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide?
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide has a molecular weight of 499.59 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 55868933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).