2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide

C18H22N2O6S — CID 113000941

IUPAC2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNS(=O)(=O)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-12-7-5-6-8-16(12)27(22,23)19-11-17(21)20-13-9-14(24-2)18(26-4)15(10-13)25-3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyUUEHUIQYYRGSTB-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.94
Rot. Bonds8

About 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113000941) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113000941
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNS(=O)(=O)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C18H22N2O6S/c1-12-7-5-6-8-16(12)27(22,23)19-11-17(21)20-13-9-14(24-2)18(26-4)15(10-13)25-3/h5-10,19H,11H2,1-4H3,(H,20,21)
InChIKeyUUEHUIQYYRGSTB-UHFFFAOYSA-N
XLogP1.94
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999333
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
N-(3-acetamidophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999723
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113002375
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108953821
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969951

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113000941) is 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNS(=O)(=O)c2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is UUEHUIQYYRGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-12-7-5-6-8-16(12)27(22,23)19-11-17(21)20-13-9-14(24-2)18(26-4)15(10-13)25-3/h5-10,19H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113000941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).