N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide

C24H24BrNO4S — CID 19219981

IUPACN-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccc(CC)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24BrNO4S/c1-3-18-10-13-20(14-11-18)26(31(28,29)21-8-6-5-7-9-21)24(27)17-30-23-15-12-19(4-2)16-22(23)25/h5-16H,3-4,17H2,1-2H3
InChIKeyNORMYNSWAKZPBQ-UHFFFAOYSA-N
MW502.43 g/mol
LogP5.37
Rot. Bonds8

About N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide

N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide (PubChem CID 19219981) has the molecular formula C24H24BrNO4S and a molecular weight of 502.43 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
PubChem CID19219981
Molecular FormulaC24H24BrNO4S
Molecular Weight502.43 g/mol
Exact Mass501.06
IUPAC NameN-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(N(C(=O)COc2ccc(CC)cc2Br)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24BrNO4S/c1-3-18-10-13-20(14-11-18)26(31(28,29)21-8-6-5-7-9-21)24(27)17-30-23-15-12-19(4-2)16-22(23)25/h5-16H,3-4,17H2,1-2H3
InChIKeyNORMYNSWAKZPBQ-UHFFFAOYSA-N
XLogP5.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(2-phenylphenoxy)acetamide
CID 19219400
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
CID 19219869
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219764
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 19217380
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide (CID 19219981) is N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide is CCc1ccc(N(C(=O)COc2ccc(CC)cc2Br)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide?
The InChIKey is NORMYNSWAKZPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO4S/c1-3-18-10-13-20(14-11-18)26(31(28,29)21-8-6-5-7-9-21)24(27)17-30-23-15-12-19(4-2)16-22(23)25/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide?
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide has a molecular weight of 502.43 g/mol, XLogP of 5.37, 8 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-ethylphenoxy)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 19219981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).