2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide

C23H23BrN2O6S — CID 127051949

IUPAC2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C23H23BrN2O6S/c1-30-17-10-13-21(31-2)19(14-17)25-23(27)15-26(20-6-4-5-7-22(20)32-3)33(28,29)18-11-8-16(24)9-12-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyWOVAGNHPAPNHIR-UHFFFAOYSA-N
MW535.42 g/mol
LogP4.31
Rot. Bonds9

About 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide

2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 127051949) has the molecular formula C23H23BrN2O6S and a molecular weight of 535.42 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID127051949
Molecular FormulaC23H23BrN2O6S
Molecular Weight535.42 g/mol
Exact Mass534.05
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C23H23BrN2O6S/c1-30-17-10-13-21(31-2)19(14-17)25-23(27)15-26(20-6-4-5-7-22(20)32-3)33(28,29)18-11-8-16(24)9-12-18/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyWOVAGNHPAPNHIR-UHFFFAOYSA-N
XLogP4.31
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide (CID 127051949) is 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is WOVAGNHPAPNHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O6S/c1-30-17-10-13-21(31-2)19(14-17)25-23(27)15-26(20-6-4-5-7-22(20)32-3)33(28,29)18-11-8-16(24)9-12-18/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide?
2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 535.42 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 127051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).