2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C26H30N4O4S — CID 55345425

IUPAC2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C26H30N4O4S/c1-18-9-12-20(13-10-18)16-28-26(32)22-7-5-6-8-23(22)29-25(31)17-27-24-15-21(14-11-19(24)2)35(33,34)30(3)4/h5-15,27H,16-17H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyXJTTZQJIXQPIAU-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.53
Rot. Bonds9

About 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 55345425) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID55345425
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C26H30N4O4S/c1-18-9-12-20(13-10-18)16-28-26(32)22-7-5-6-8-23(22)29-25(31)17-27-24-15-21(14-11-19(24)2)35(33,34)30(3)4/h5-15,27H,16-17H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyXJTTZQJIXQPIAU-UHFFFAOYSA-N
XLogP3.53
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
N-benzyl-2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126029957
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
N-(4-tert-butylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100477
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-methylacetamide
CID 26508658
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]amino]-N-benzylbenzamide
CID 4619682

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 55345425) is 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is XJTTZQJIXQPIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-18-9-12-20(13-10-18)16-28-26(32)22-7-5-6-8-23(22)29-25(31)17-27-24-15-21(14-11-19(24)2)35(33,34)30(3)4/h5-15,27H,16-17H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 494.62 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 55345425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).