2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

C23H23BrN2O5S — CID 1362081

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C23H23BrN2O5S/c1-30-19-10-13-22(31-2)21(14-19)25-23(27)16-26(15-17-6-4-3-5-7-17)32(28,29)20-11-8-18(24)9-12-20/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyYAEBPILTWJKARA-UHFFFAOYSA-N
MW519.42 g/mol
LogP4.30
Rot. Bonds9

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 1362081) has the molecular formula C23H23BrN2O5S and a molecular weight of 519.42 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID1362081
Molecular FormulaC23H23BrN2O5S
Molecular Weight519.42 g/mol
Exact Mass518.05
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C23H23BrN2O5S/c1-30-19-10-13-22(31-2)21(14-19)25-23(27)16-26(15-17-6-4-3-5-7-17)32(28,29)20-11-8-18(24)9-12-20/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyYAEBPILTWJKARA-UHFFFAOYSA-N
XLogP4.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 126083250
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 126203271
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2264008
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126204295
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126390068
2-(N-(5-bromo-2-methoxyphenyl)sulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 1323779
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126062078
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2128925

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 1362081) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is YAEBPILTWJKARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O5S/c1-30-19-10-13-22(31-2)21(14-19)25-23(27)16-26(15-17-6-4-3-5-7-17)32(28,29)20-11-8-18(24)9-12-20/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 519.42 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1362081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).