2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide

C23H23BrN2O3S — CID 1365184

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O3S/c1-2-19-10-6-7-11-22(19)25-23(27)17-26(16-18-8-4-3-5-9-18)30(28,29)21-14-12-20(24)13-15-21/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyPNVYQNXUXIDRLY-UHFFFAOYSA-N
MW487.42 g/mol
LogP4.84
Rot. Bonds8

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 1365184) has the molecular formula C23H23BrN2O3S and a molecular weight of 487.42 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
PubChem CID1365184
Molecular FormulaC23H23BrN2O3S
Molecular Weight487.42 g/mol
Exact Mass486.06
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O3S/c1-2-19-10-6-7-11-22(19)25-23(27)17-26(16-18-8-4-3-5-9-18)30(28,29)21-14-12-20(24)13-15-21/h3-15H,2,16-17H2,1H3,(H,25,27)
InChIKeyPNVYQNXUXIDRLY-UHFFFAOYSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide (CID 1365184) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is PNVYQNXUXIDRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3S/c1-2-19-10-6-7-11-22(19)25-23(27)17-26(16-18-8-4-3-5-9-18)30(28,29)21-14-12-20(24)13-15-21/h3-15H,2,16-17H2,1H3,(H,25,27).
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 487.42 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 1365184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).