2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide

C24H23BrClNO5S — CID 19219911

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)COc2cc(C)c(Cl)c(C)c2Br)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23BrClNO5S/c1-15-5-11-20(12-6-15)33(29,30)27(18-7-9-19(31-4)10-8-18)22(28)14-32-21-13-16(2)24(26)17(3)23(21)25/h5-13H,14H2,1-4H3
InChIKeyAKPKVNPFAAHVTR-UHFFFAOYSA-N
MW552.87 g/mol
LogP5.84
Rot. Bonds7

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 19219911) has the molecular formula C24H23BrClNO5S and a molecular weight of 552.87 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID19219911
Molecular FormulaC24H23BrClNO5S
Molecular Weight552.87 g/mol
Exact Mass551.02
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(N(C(=O)COc2cc(C)c(Cl)c(C)c2Br)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23BrClNO5S/c1-15-5-11-20(12-6-15)33(29,30)27(18-7-9-19(31-4)10-8-18)22(28)14-32-21-13-16(2)24(26)17(3)23(21)25/h5-13H,14H2,1-4H3
InChIKeyAKPKVNPFAAHVTR-UHFFFAOYSA-N
XLogP5.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.87
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-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-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217990
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide (CID 19219911) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide is COc1ccc(N(C(=O)COc2cc(C)c(Cl)c(C)c2Br)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is AKPKVNPFAAHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClNO5S/c1-15-5-11-20(12-6-15)33(29,30)27(18-7-9-19(31-4)10-8-18)22(28)14-32-21-13-16(2)24(26)17(3)23(21)25/h5-13H,14H2,1-4H3.
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 552.87 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 19219911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).