N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

C18H19N3O3S — CID 113154098

IUPACN-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C18H19N3O3S/c1-13-5-4-6-17(14(13)2)21(25(3,23)24)12-18(22)20-16-9-7-15(11-19)8-10-16/h4-10H,12H2,1-3H3,(H,20,22)
InChIKeyZSSQWCSAXFXPER-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds5

About N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154098) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154098
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)c1C
InChIInChI=1S/C18H19N3O3S/c1-13-5-4-6-17(14(13)2)21(25(3,23)24)12-18(22)20-16-9-7-15(11-19)8-10-16/h4-10H,12H2,1-3H3,(H,20,22)
InChIKeyZSSQWCSAXFXPER-UHFFFAOYSA-N
XLogP2.58
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155496
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126035464
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 113156893
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 92683753
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508333
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338522
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide (CID 113154098) is N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(C#N)cc2)S(C)(=O)=O)c1C.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is ZSSQWCSAXFXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-5-4-6-17(14(13)2)21(25(3,23)24)12-18(22)20-16-9-7-15(11-19)8-10-16/h4-10H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).