2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide

C25H26BrNO4S — CID 19218232

IUPAC2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H26BrNO4S/c1-3-4-7-20-12-14-21(15-13-20)27(32(29,30)22-16-10-19(2)11-17-22)25(28)18-31-24-9-6-5-8-23(24)26/h5-6,8-17H,3-4,7,18H2,1-2H3
InChIKeyZIYQJHSBAHPRNO-UHFFFAOYSA-N
MW516.46 g/mol
LogP5.90
Rot. Bonds9

About 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 19218232) has the molecular formula C25H26BrNO4S and a molecular weight of 516.46 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID19218232
Molecular FormulaC25H26BrNO4S
Molecular Weight516.46 g/mol
Exact Mass515.08
IUPAC Name2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H26BrNO4S/c1-3-4-7-20-12-14-21(15-13-20)27(32(29,30)22-16-10-19(2)11-17-22)25(28)18-31-24-9-6-5-8-23(24)26/h5-6,8-17H,3-4,7,18H2,1-2H3
InChIKeyZIYQJHSBAHPRNO-UHFFFAOYSA-N
XLogP5.90
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19212810
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19217762
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19218443

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 19218232) is 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide is CCCCc1ccc(N(C(=O)COc2ccccc2Br)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is ZIYQJHSBAHPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO4S/c1-3-4-7-20-12-14-21(15-13-20)27(32(29,30)22-16-10-19(2)11-17-22)25(28)18-31-24-9-6-5-8-23(24)26/h5-6,8-17H,3-4,7,18H2,1-2H3.
What are the key properties of 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 516.46 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 19218232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).