N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide

C23H23BrN2O5S — CID 126179582

IUPACN-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1OC
InChIInChI=1S/C23H23BrN2O5S/c1-16-13-17(9-11-20(16)24)25-23(27)15-26(18-7-5-4-6-8-18)32(28,29)19-10-12-21(30-2)22(14-19)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyOSULVFGPAVSSGE-UHFFFAOYSA-N
MW519.42 g/mol
LogP4.61
Rot. Bonds8

About N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 126179582) has the molecular formula C23H23BrN2O5S and a molecular weight of 519.42 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
PubChem CID126179582
Molecular FormulaC23H23BrN2O5S
Molecular Weight519.42 g/mol
Exact Mass518.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1OC
InChIInChI=1S/C23H23BrN2O5S/c1-16-13-17(9-11-20(16)24)25-23(27)15-26(18-7-5-4-6-8-18)32(28,29)19-10-12-21(30-2)22(14-19)31-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyOSULVFGPAVSSGE-UHFFFAOYSA-N
XLogP4.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035125
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 27042991
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 1337086
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 1357139
N-(3-chlorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30258990
N-(3-chloro-4-fluorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30267261
N-(2,6-diethylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1006564
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179339

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide (CID 126179582) is N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1OC.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is OSULVFGPAVSSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O5S/c1-16-13-17(9-11-20(16)24)25-23(27)15-26(18-7-5-4-6-8-18)32(28,29)19-10-12-21(30-2)22(14-19)31-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 519.42 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126179582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).