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

C23H22BrNO5S — CID 19219983

IUPACN-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc(OCC(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C23H22BrNO5S/c1-3-17-9-14-22(21(24)15-17)30-16-23(26)25(18-10-12-19(29-2)13-11-18)31(27,28)20-7-5-4-6-8-20/h4-15H,3,16H2,1-2H3
InChIKeyHXSNOUHXNDKMKU-UHFFFAOYSA-N
MW504.40 g/mol
LogP4.82
Rot. Bonds8

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

N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 19219983) has the molecular formula C23H22BrNO5S and a molecular weight of 504.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID19219983
Molecular FormulaC23H22BrNO5S
Molecular Weight504.40 g/mol
Exact Mass503.04
IUPAC NameN-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc(OCC(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C23H22BrNO5S/c1-3-17-9-14-22(21(24)15-17)30-16-23(26)25(18-10-12-19(29-2)13-11-18)31(27,28)20-7-5-4-6-8-20/h4-15H,3,16H2,1-2H3
InChIKeyHXSNOUHXNDKMKU-UHFFFAOYSA-N
XLogP4.82
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
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-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(benzenesulfonyl)-2-(2-bromo-4-chlorophenoxy)-N-(4-methylphenyl)acetamide
CID 19220017
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
N-(benzenesulfonyl)-2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methylphenyl)acetamide
CID 19219869

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide (CID 19219983) is N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide is CCc1ccc(OCC(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is HXSNOUHXNDKMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO5S/c1-3-17-9-14-22(21(24)15-17)30-16-23(26)25(18-10-12-19(29-2)13-11-18)31(27,28)20-7-5-4-6-8-20/h4-15H,3,16H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide has a molecular weight of 504.40 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19219983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).