2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

C24H23BrClNO5S — CID 19219952

IUPAC2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCCCc1ccc(OCC(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C24H23BrClNO5S/c1-3-4-17-5-14-23(22(25)15-17)32-16-24(28)27(19-8-10-20(31-2)11-9-19)33(29,30)21-12-6-18(26)7-13-21/h5-15H,3-4,16H2,1-2H3
InChIKeyXNJQCMCPNKCZHP-UHFFFAOYSA-N
MW552.87 g/mol
LogP5.86
Rot. Bonds9

About 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 19219952) has the molecular formula C24H23BrClNO5S and a molecular weight of 552.87 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID19219952
Molecular FormulaC24H23BrClNO5S
Molecular Weight552.87 g/mol
Exact Mass551.02
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCCCc1ccc(OCC(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C24H23BrClNO5S/c1-3-4-17-5-14-23(22(25)15-17)32-16-24(28)27(19-8-10-20(31-2)11-9-19)33(29,30)21-12-6-18(26)7-13-21/h5-15H,3-4,16H2,1-2H3
InChIKeyXNJQCMCPNKCZHP-UHFFFAOYSA-N
XLogP5.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.87
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217990
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217758
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 19219952) is 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is CCCc1ccc(OCC(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is XNJQCMCPNKCZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClNO5S/c1-3-4-17-5-14-23(22(25)15-17)32-16-24(28)27(19-8-10-20(31-2)11-9-19)33(29,30)21-12-6-18(26)7-13-21/h5-15H,3-4,16H2,1-2H3.
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 552.87 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19219952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).