2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide

C18H19N3O3S — CID 9293998

IUPAC2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-5-14-8-10-16(11-9-14)21-18(22)13-20-25(23,24)17-7-4-3-6-15(17)12-19/h3-4,6-11,20H,2,5,13H2,1H3,(H,21,22)
InChIKeyOZZJFSMPNRAQCU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.43
Rot. Bonds7

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

2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide (PubChem CID 9293998) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
PubChem CID9293998
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-5-14-8-10-16(11-9-14)21-18(22)13-20-25(23,24)17-7-4-3-6-15(17)12-19/h3-4,6-11,20H,2,5,13H2,1H3,(H,21,22)
InChIKeyOZZJFSMPNRAQCU-UHFFFAOYSA-N
XLogP2.43
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyanophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 9410662
N-benzyl-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 8713182
N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653231
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
N-(3-chloro-2-fluorophenyl)-2-[(2-cyanophenyl)sulfonylamino]acetamide
CID 9146475
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410013

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide (CID 9293998) is 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1.
What is the InChIKey of 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide?
The InChIKey is OZZJFSMPNRAQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-5-14-8-10-16(11-9-14)21-18(22)13-20-25(23,24)17-7-4-3-6-15(17)12-19/h3-4,6-11,20H,2,5,13H2,1H3,(H,21,22).
What are the key properties of 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide?
2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)sulfonylamino]-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 9293998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).