N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide

C19H21N3O4S — CID 113144847

IUPACN-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-3-26-18-7-5-4-6-17(18)22(27(2,24)25)13-12-19(23)21-16-10-8-15(14-20)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyMQIDOLKITIDSDQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.75
Rot. Bonds8

About N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide

N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144847) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144847
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
SMILESCCOc1ccccc1N(CCC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-3-26-18-7-5-4-6-17(18)22(27(2,24)25)13-12-19(23)21-16-10-8-15(14-20)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyMQIDOLKITIDSDQ-UHFFFAOYSA-N
XLogP2.75
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide 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-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
3-(2-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113144836
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
N-butyl-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144781
3-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113144790
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide (CID 113144847) is N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide is CCOc1ccccc1N(CCC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MQIDOLKITIDSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-26-18-7-5-4-6-17(18)22(27(2,24)25)13-12-19(23)21-16-10-8-15(14-20)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide?
N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).