4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide

C26H30N2O3S — CID 2197002

IUPAC4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1
InChIInChI=1S/C26H30N2O3S/c1-17-9-7-8-10-23(17)27-25(29)20-11-13-22(14-12-20)28-32(30,31)24-16-21(26(4,5)6)15-18(2)19(24)3/h7-16,28H,1-6H3,(H,27,29)
InChIKeyIRPDEFQAWBEDMM-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.96
Rot. Bonds5

About 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide

4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide (PubChem CID 2197002) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
PubChem CID2197002
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1
InChIInChI=1S/C26H30N2O3S/c1-17-9-7-8-10-23(17)27-25(29)20-11-13-22(14-12-20)28-32(30,31)24-16-21(26(4,5)6)15-18(2)19(24)3/h7-16,28H,1-6H3,(H,27,29)
InChIKeyIRPDEFQAWBEDMM-UHFFFAOYSA-N
XLogP5.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide (CID 2197002) is 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)cc(C)c2C)cc1.
What is the InChIKey of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
The InChIKey is IRPDEFQAWBEDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-17-9-7-8-10-23(17)27-25(29)20-11-13-22(14-12-20)28-32(30,31)24-16-21(26(4,5)6)15-18(2)19(24)3/h7-16,28H,1-6H3,(H,27,29).
What are the key properties of 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide?
4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide has a molecular weight of 450.60 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2,3-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 2197002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).