2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide

C25H27N3O4S — CID 55499981

IUPAC2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-17-8-7-9-19(16-17)26-24(30)21-10-5-6-11-22(21)27-23(29)18-12-14-20(15-13-18)33(31,32)28-25(2,3)4/h5-16,28H,1-4H3,(H,26,30)(H,27,29)
InChIKeyMPNCDHAIUBVAAZ-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.58
Rot. Bonds6

About 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide

2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 55499981) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID55499981
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C25H27N3O4S/c1-17-8-7-9-19(16-17)26-24(30)21-10-5-6-11-22(21)27-23(29)18-12-14-20(15-13-18)33(31,32)28-25(2,3)4/h5-16,28H,1-4H3,(H,26,30)(H,27,29)
InChIKeyMPNCDHAIUBVAAZ-UHFFFAOYSA-N
XLogP4.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 46644069
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
CID 56515635
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
methyl 3-[[2-[(3-methylphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 52636365
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
N-(3-chlorophenyl)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 2117030

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide (CID 55499981) is 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is MPNCDHAIUBVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-17-8-7-9-19(16-17)26-24(30)21-10-5-6-11-22(21)27-23(29)18-12-14-20(15-13-18)33(31,32)28-25(2,3)4/h5-16,28H,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide?
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 55499981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).