N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide

C17H20N2O5S — CID 112999205

IUPACN-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20N2O5S/c1-12-5-4-6-14(9-12)25(21,22)18-11-17(20)19-15-10-13(23-2)7-8-16(15)24-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyXIHLWGQDAOWDEW-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.93
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide

N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide (PubChem CID 112999205) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
PubChem CID112999205
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H20N2O5S/c1-12-5-4-6-14(9-12)25(21,22)18-11-17(20)19-15-10-13(23-2)7-8-16(15)24-3/h4-10,18H,11H2,1-3H3,(H,19,20)
InChIKeyXIHLWGQDAOWDEW-UHFFFAOYSA-N
XLogP1.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 112999206
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961701
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 5167915
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide (CID 112999205) is N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide is COc1ccc(OC)c(NC(=O)CNS(=O)(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
The InChIKey is XIHLWGQDAOWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-12-5-4-6-14(9-12)25(21,22)18-11-17(20)19-15-10-13(23-2)7-8-16(15)24-3/h4-10,18H,11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide has a molecular weight of 364.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112999205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).