2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide

C23H23BrN2O6S — CID 1323779

IUPAC2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C23H23BrN2O6S/c1-30-18-10-12-20(31-2)19(14-18)25-23(27)15-26(17-7-5-4-6-8-17)33(28,29)22-13-16(24)9-11-21(22)32-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyGVEIAUUHKNMURC-UHFFFAOYSA-N
MW535.42 g/mol
LogP4.31
Rot. Bonds9

About 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide

2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 1323779) has the molecular formula C23H23BrN2O6S and a molecular weight of 535.42 g/mol. Its IUPAC name is 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID1323779
Molecular FormulaC23H23BrN2O6S
Molecular Weight535.42 g/mol
Exact Mass534.05
IUPAC Name2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C23H23BrN2O6S/c1-30-18-10-12-20(31-2)19(14-18)25-23(27)15-26(17-7-5-4-6-8-17)33(28,29)22-13-16(24)9-11-21(22)32-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyGVEIAUUHKNMURC-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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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 126033857
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880649
N-(4-bromo-2,6-dimethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100798733
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 1362081
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3139067
N-(2,4-difluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126392822
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1320752
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 5167915
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901959
N-[(1-benzylpiperidin-4-ylidene)amino]-2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)acetamide
CID 126344496

Frequently Asked Questions

What is the IUPAC name of 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide (CID 1323779) is 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)c1.
What is the InChIKey of 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is GVEIAUUHKNMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O6S/c1-30-18-10-12-20(31-2)19(14-18)25-23(27)15-26(17-7-5-4-6-8-17)33(28,29)22-13-16(24)9-11-21(22)32-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide?
2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-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-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1323779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).