N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

C22H19N3O3S — CID 25497895

IUPACN-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-17-10-12-21(13-11-17)29(27,28)25(20-8-3-2-4-9-20)16-22(26)24-19-7-5-6-18(14-19)15-23/h2-14H,16H2,1H3,(H,24,26)
InChIKeyXUBCTQNWJSYIPT-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.70
Rot. Bonds6

About N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide

N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 25497895) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID25497895
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-17-10-12-21(13-11-17)29(27,28)25(20-8-3-2-4-9-20)16-22(26)24-19-7-5-6-18(14-19)15-23/h2-14H,16H2,1H3,(H,24,26)
InChIKeyXUBCTQNWJSYIPT-UHFFFAOYSA-N
XLogP3.70
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30231205
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100792586
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1320131
2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26564864
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide (CID 25497895) is N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is XUBCTQNWJSYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-17-10-12-21(13-11-17)29(27,28)25(20-8-3-2-4-9-20)16-22(26)24-19-7-5-6-18(14-19)15-23/h2-14H,16H2,1H3,(H,24,26).
What are the key properties of N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 405.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 25497895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).