N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C17H17N3O3S — CID 925263

IUPACN-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20(2)12-17(21)19-16-6-4-3-5-14(16)11-18/h3-10H,12H2,1-2H3,(H,19,21)
InChIKeyUUPQNLWVQHEINH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.13
Rot. Bonds5

About N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 925263) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID925263
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20(2)12-17(21)19-16-6-4-3-5-14(16)11-18/h3-10H,12H2,1-2H3,(H,19,21)
InChIKeyUUPQNLWVQHEINH-UHFFFAOYSA-N
XLogP2.13
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26943718
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 26890892
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978885
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 2455479
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-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 925263) is N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is UUPQNLWVQHEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-13-7-9-15(10-8-13)24(22,23)20(2)12-17(21)19-16-6-4-3-5-14(16)11-18/h3-10H,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 925263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).