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

C23H22BrNO5S — CID 19219764

IUPACN-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22BrNO5S/c1-3-17-15-18(24)9-14-22(17)30-16-23(26)25(19-10-12-20(29-2)13-11-19)31(27,28)21-7-5-4-6-8-21/h4-15H,3,16H2,1-2H3
InChIKeyDELOEHUMFWQLGF-UHFFFAOYSA-N
MW504.40 g/mol
LogP4.82
Rot. Bonds8

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

N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 19219764) has the molecular formula C23H22BrNO5S and a molecular weight of 504.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID19219764
Molecular FormulaC23H22BrNO5S
Molecular Weight504.40 g/mol
Exact Mass503.04
IUPAC NameN-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H22BrNO5S/c1-3-17-15-18(24)9-14-22(17)30-16-23(26)25(19-10-12-20(29-2)13-11-19)31(27,28)21-7-5-4-6-8-21/h4-15H,3,16H2,1-2H3
InChIKeyDELOEHUMFWQLGF-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-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
N-(benzenesulfonyl)-2-(4-bromo-2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218435
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
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
N-(benzenesulfonyl)-2-(2-bromo-4-propylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219946
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide (CID 19219764) is N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide is CCc1cc(Br)ccc1OCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is DELOEHUMFWQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO5S/c1-3-17-15-18(24)9-14-22(17)30-16-23(26)25(19-10-12-20(29-2)13-11-19)31(27,28)21-7-5-4-6-8-21/h4-15H,3,16H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide?
N-(benzenesulfonyl)-2-(4-bromo-2-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-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19219764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).