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2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

C19H21N3O3S — CID 113157205

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-4-15-10-7-8-14(2)19(15)21-18(23)13-22(26(3,24)25)17-11-6-5-9-16(17)12-20/h5-11H,4,13H2,1-3H3,(H,21,23)
InChIKeyMIJNJYBTLICLMA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.83
Rot. Bonds6

About 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide

2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 113157205) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID113157205
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C19H21N3O3S/c1-4-15-10-7-8-14(2)19(15)21-18(23)13-22(26(3,24)25)17-11-6-5-9-16(17)12-20/h5-11H,4,13H2,1-3H3,(H,21,23)
InChIKeyMIJNJYBTLICLMA-UHFFFAOYSA-N
XLogP2.83
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide (CID 113157205) is 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccccc1C#N)S(C)(=O)=O.
What is the InChIKey of 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is MIJNJYBTLICLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-15-10-7-8-14(2)19(15)21-18(23)13-22(26(3,24)25)17-11-6-5-9-16(17)12-20/h5-11H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 113157205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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