N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide

C24H24BrNO4S — CID 19219869

IUPACN-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(C(=O)COc2ccc(C(C)C)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24BrNO4S/c1-17(2)19-11-14-23(22(25)15-19)30-16-24(27)26(20-12-9-18(3)10-13-20)31(28,29)21-7-5-4-6-8-21/h4-15,17H,16H2,1-3H3
InChIKeyFFOPLNCHWWLXAU-UHFFFAOYSA-N
MW502.43 g/mol
LogP5.68
Rot. Bonds7

About N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide

N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide (PubChem CID 19219869) has the molecular formula C24H24BrNO4S and a molecular weight of 502.43 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
PubChem CID19219869
Molecular FormulaC24H24BrNO4S
Molecular Weight502.43 g/mol
Exact Mass501.06
IUPAC NameN-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(C(=O)COc2ccc(C(C)C)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24BrNO4S/c1-17(2)19-11-14-23(22(25)15-19)30-16-24(27)26(20-12-9-18(3)10-13-20)31(28,29)21-7-5-4-6-8-21/h4-15,17H,16H2,1-3H3
InChIKeyFFOPLNCHWWLXAU-UHFFFAOYSA-N
XLogP5.68
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
2-(2-methoxyphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylacetamide
CID 19217917

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide (CID 19219869) is N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide is Cc1ccc(N(C(=O)COc2ccc(C(C)C)cc2Br)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide?
The InChIKey is FFOPLNCHWWLXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO4S/c1-17(2)19-11-14-23(22(25)15-19)30-16-24(27)26(20-12-9-18(3)10-13-20)31(28,29)21-7-5-4-6-8-21/h4-15,17H,16H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide?
N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide has a molecular weight of 502.43 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 19219869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).