N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide

C26H29N3O4S — CID 2557752

IUPACN-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-17-6-9-20(26(3,4)5)16-24(17)34(32,33)29-23-10-7-19(8-11-23)25(31)28-22-14-12-21(13-15-22)27-18(2)30/h6-16,29H,1-5H3,(H,27,30)(H,28,31)
InChIKeyPBSUSKCFQQNJKR-UHFFFAOYSA-N
MW479.60 g/mol
LogP5.30
Rot. Bonds6

About N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide

N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide (PubChem CID 2557752) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide
PubChem CID2557752
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-17-6-9-20(26(3,4)5)16-24(17)34(32,33)29-23-10-7-19(8-11-23)25(31)28-22-14-12-21(13-15-22)27-18(2)30/h6-16,29H,1-5H3,(H,27,30)(H,28,31)
InChIKeyPBSUSKCFQQNJKR-UHFFFAOYSA-N
XLogP5.30
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide (CID 2557752) is N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PBSUSKCFQQNJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-17-6-9-20(26(3,4)5)16-24(17)34(32,33)29-23-10-7-19(8-11-23)25(31)28-22-14-12-21(13-15-22)27-18(2)30/h6-16,29H,1-5H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide?
N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 479.60 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).