2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide

C17H19N3O4S2 — CID 55524068

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(CC#N)cc2)s1
InChIInChI=1S/C17H19N3O4S2/c1-20(2)26(22,23)17-8-7-15(25-17)11-19-16(21)12-24-14-5-3-13(4-6-14)9-10-18/h3-8H,9,11-12H2,1-2H3,(H,19,21)
InChIKeyYLBOJTCZBCYXAF-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.76
Rot. Bonds8

About 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide

2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide (PubChem CID 55524068) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
PubChem CID55524068
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(CC#N)cc2)s1
InChIInChI=1S/C17H19N3O4S2/c1-20(2)26(22,23)17-8-7-15(25-17)11-19-16(21)12-24-14-5-3-13(4-6-14)9-10-18/h3-8H,9,11-12H2,1-2H3,(H,19,21)
InChIKeyYLBOJTCZBCYXAF-UHFFFAOYSA-N
XLogP1.76
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-[4-(cyanomethyl)phenoxy]-N-(3-cyanopropyl)acetamide
CID 75454453
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
2-(3-cyanophenoxy)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 47047952
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 55791868
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111181897
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide (CID 55524068) is 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(CC#N)cc2)s1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is YLBOJTCZBCYXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-20(2)26(22,23)17-8-7-15(25-17)11-19-16(21)12-24-14-5-3-13(4-6-14)9-10-18/h3-8H,9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide?
2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55524068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).