2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide

C24H25BrN2O5S — CID 126062078

IUPAC2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H25BrN2O5S/c1-17-4-11-21(12-5-17)33(29,30)27(15-18-6-8-19(25)9-7-18)16-24(28)26-20-10-13-22(31-2)23(14-20)32-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyAHAVKSBWVUEWHK-UHFFFAOYSA-N
MW533.44 g/mol
LogP4.60
Rot. Bonds9

About 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide

2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 126062078) has the molecular formula C24H25BrN2O5S and a molecular weight of 533.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID126062078
Molecular FormulaC24H25BrN2O5S
Molecular Weight533.44 g/mol
Exact Mass532.07
IUPAC Name2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H25BrN2O5S/c1-17-4-11-21(12-5-17)33(29,30)27(15-18-6-8-19(25)9-7-18)16-24(28)26-20-10-13-22(31-2)23(14-20)32-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyAHAVKSBWVUEWHK-UHFFFAOYSA-N
XLogP4.60
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126156016
4-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126072579
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 126090029
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126204295
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126095605
N-(3-chloro-4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069625
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872181

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide (CID 126062078) is 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is AHAVKSBWVUEWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O5S/c1-17-4-11-21(12-5-17)33(29,30)27(15-18-6-8-19(25)9-7-18)16-24(28)26-20-10-13-22(31-2)23(14-20)32-3/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 533.44 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 126062078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).