N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide

C17H17N3O3S — CID 113072304

IUPACN-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)20(16-9-7-14(13-18)8-10-16)12-11-19-17(21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyLGTHKQFOTRIGNG-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide

N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113072304) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113072304
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)20(16-9-7-14(13-18)8-10-16)12-11-19-17(21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyLGTHKQFOTRIGNG-UHFFFAOYSA-N
XLogP1.75
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
1-[2-(4-cyano-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072346
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
CID 113068437
N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]-2-phenylacetamide
CID 113071035
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113072167
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113072223

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide (CID 113072304) is N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is LGTHKQFOTRIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)20(16-9-7-14(13-18)8-10-16)12-11-19-17(21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide?
N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 343.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).