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

C16H17BrN2O5S — CID 126155694

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H17BrN2O5S/c1-23-12-5-8-14(15(9-12)24-2)19-16(20)10-18-25(21,22)13-6-3-11(17)4-7-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyFQAOGXVWZLURDX-UHFFFAOYSA-N
MW429.29 g/mol
LogP2.38
Rot. Bonds7

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

2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 126155694) has the molecular formula C16H17BrN2O5S and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID126155694
Molecular FormulaC16H17BrN2O5S
Molecular Weight429.29 g/mol
Exact Mass428.00
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H17BrN2O5S/c1-23-12-5-8-14(15(9-12)24-2)19-16(20)10-18-25(21,22)13-6-3-11(17)4-7-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyFQAOGXVWZLURDX-UHFFFAOYSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3572885
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17447496
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999264
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602437
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
N-(2,4-dimethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192805
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
N-(2-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112998822

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide (CID 126155694) is 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is FQAOGXVWZLURDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O5S/c1-23-12-5-8-14(15(9-12)24-2)19-16(20)10-18-25(21,22)13-6-3-11(17)4-7-13/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 429.29 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 126155694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).