N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide

C20H23N3O3S — CID 113154456

IUPACN-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)Nc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C20H23N3O3S/c1-4-15-10-8-11-16(5-2)20(15)23(27(3,25)26)14-19(24)22-18-12-7-6-9-17(18)13-21/h6-12H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyJWTMFHGNJMTUHM-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.09
Rot. Bonds7

About N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide

N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154456) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154456
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)Nc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C20H23N3O3S/c1-4-15-10-8-11-16(5-2)20(15)23(27(3,25)26)14-19(24)22-18-12-7-6-9-17(18)13-21/h6-12H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyJWTMFHGNJMTUHM-UHFFFAOYSA-N
XLogP3.09
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142957
2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
CID 113154862
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
methyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155919
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150616
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113157205
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26943718
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide (CID 113154456) is N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide is CCc1cccc(CC)c1N(CC(=O)Nc1ccccc1C#N)S(C)(=O)=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is JWTMFHGNJMTUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-15-10-8-11-16(5-2)20(15)23(27(3,25)26)14-19(24)22-18-12-7-6-9-17(18)13-21/h6-12H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide?
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).