N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide

C19H21N3O3S — CID 100798669

IUPACN-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-22(26(24,25)18-10-4-15(2)5-11-18)14-19(23)21-17-8-6-16(7-9-17)12-13-20/h4-11H,3,12,14H2,1-2H3,(H,21,23)
InChIKeyAAJAUXNULNQKLK-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.71
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 100798669) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID100798669
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-22(26(24,25)18-10-4-15(2)5-11-18)14-19(23)21-17-8-6-16(7-9-17)12-13-20/h4-11H,3,12,14H2,1-2H3,(H,21,23)
InChIKeyAAJAUXNULNQKLK-UHFFFAOYSA-N
XLogP2.71
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide 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

2-[benzenesulfonyl(ethyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100798933
ethyl 2-[4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100795858
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797095
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797716
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
ethyl 2-[[4-(cyanomethyl)phenyl]sulfonyl-ethylamino]acetate
CID 79186503
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 51344617
2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-ethylamino]-N-(4-methylphenyl)acetamide
CID 19259500
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100798057
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278378

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide (CID 100798669) is N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide is CCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is AAJAUXNULNQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-22(26(24,25)18-10-4-15(2)5-11-18)14-19(23)21-17-8-6-16(7-9-17)12-13-20/h4-11H,3,12,14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100798669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).