2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide

C25H28N2O3S — CID 1142011

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)26-25(28)18-27(17-21-7-5-4-6-8-21)31(29,30)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyILHPMHYOHUQFFW-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.95
Rot. Bonds8

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1142011) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1142011
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)26-25(28)18-27(17-21-7-5-4-6-8-21)31(29,30)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyILHPMHYOHUQFFW-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 1142011) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ILHPMHYOHUQFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)26-25(28)18-27(17-21-7-5-4-6-8-21)31(29,30)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1142011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).