N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide

C23H23BrN2O5S — CID 4850822

IUPACN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)cc1
InChIInChI=1S/C23H23BrN2O5S/c1-3-16-4-10-19(11-5-16)31-15-23(27)25-21-14-20(12-13-22(21)30-2)32(28,29)26-18-8-6-17(24)7-9-18/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyOFRSXVFYRFPQDZ-UHFFFAOYSA-N
MW519.42 g/mol
LogP4.84
Rot. Bonds9

About N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide

N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 4850822) has the molecular formula C23H23BrN2O5S and a molecular weight of 519.42 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
PubChem CID4850822
Molecular FormulaC23H23BrN2O5S
Molecular Weight519.42 g/mol
Exact Mass518.05
IUPAC NameN-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)cc1
InChIInChI=1S/C23H23BrN2O5S/c1-3-16-4-10-19(11-5-16)31-15-23(27)25-21-14-20(12-13-22(21)30-2)32(28,29)26-18-8-6-17(24)7-9-18/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyOFRSXVFYRFPQDZ-UHFFFAOYSA-N
XLogP4.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.42
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
N-(2,5-dimethoxyphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3941863
2-(2-bromo-4-ethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 28566038
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28554113
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796609
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide (CID 4850822) is N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)cc1.
What is the InChIKey of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is OFRSXVFYRFPQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O5S/c1-3-16-4-10-19(11-5-16)31-15-23(27)25-21-14-20(12-13-22(21)30-2)32(28,29)26-18-8-6-17(24)7-9-18/h4-14,26H,3,15H2,1-2H3,(H,25,27).
What are the key properties of N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide?
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 519.42 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 4850822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).