2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

C18H19N3O3S — CID 51333753

IUPAC2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-3-15-8-4-5-10-17(15)20-18(22)13-21(25(2,23)24)16-9-6-7-14(11-16)12-19/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyAQXPYEIGZLIQCW-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.53
Rot. Bonds6

About 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide

2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (PubChem CID 51333753) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
PubChem CID51333753
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-3-15-8-4-5-10-17(15)20-18(22)13-21(25(2,23)24)16-9-6-7-14(11-16)12-19/h4-11H,3,13H2,1-2H3,(H,20,22)
InChIKeyAQXPYEIGZLIQCW-UHFFFAOYSA-N
XLogP2.53
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 134044336
N-(4-butan-2-ylphenyl)-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 17485358
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide (CID 51333753) is 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
The InChIKey is AQXPYEIGZLIQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-15-8-4-5-10-17(15)20-18(22)13-21(25(2,23)24)16-9-6-7-14(11-16)12-19/h4-11H,3,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide?
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 51333753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).