N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide

C17H17N3O3S — CID 113001871

IUPACN-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H17N3O3S/c1-12-7-8-13(2)16(9-12)24(22,23)19-11-17(21)20-15-6-4-3-5-14(15)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyKCJINKLUQWPOHB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.09
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide

N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 113001871) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
PubChem CID113001871
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H17N3O3S/c1-12-7-8-13(2)16(9-12)24(22,23)19-11-17(21)20-15-6-4-3-5-14(15)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyKCJINKLUQWPOHB-UHFFFAOYSA-N
XLogP2.09
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 113001883
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080
N-(2-bromo-4-methylphenyl)-2-(2-cyanoanilino)acetamide
CID 109010815
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113001906
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide (CID 113001871) is N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is KCJINKLUQWPOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-7-8-13(2)16(9-12)24(22,23)19-11-17(21)20-15-6-4-3-5-14(15)10-18/h3-9,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113001871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).