2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide

C18H22N2O4S — CID 22300171

IUPAC2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNS(=O)(=O)Cc2c(C)cccc2C)c1
InChIInChI=1S/C18H22N2O4S/c1-13-6-4-7-14(2)17(13)12-25(22,23)19-11-18(21)20-15-8-5-9-16(10-15)24-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyYRTMDLYEXRHVKU-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.37
Rot. Bonds7

About 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide

2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 22300171) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID22300171
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNS(=O)(=O)Cc2c(C)cccc2C)c1
InChIInChI=1S/C18H22N2O4S/c1-13-6-4-7-14(2)17(13)12-25(22,23)19-11-18(21)20-15-8-5-9-16(10-15)24-3/h4-10,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyYRTMDLYEXRHVKU-UHFFFAOYSA-N
XLogP2.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 22300310
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998681
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
2-[(4-tert-butylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998694
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylbenzamide
CID 2234244
N-(3-acetamidophenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112999711
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide (CID 22300171) is 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNS(=O)(=O)Cc2c(C)cccc2C)c1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is YRTMDLYEXRHVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-6-4-7-14(2)17(13)12-25(22,23)19-11-18(21)20-15-8-5-9-16(10-15)24-3/h4-10,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide?
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 22300171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).