3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C19H22N4O3S — CID 113146975

IUPAC3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O3S/c1-22(13-9-16-7-11-21-12-8-16)19(24)10-14-23(27(2,25)26)18-5-3-17(15-20)4-6-18/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyDRMRQECXCGTVMZ-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.81
Rot. Bonds8

About 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113146975) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113146975
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCN(CCc1ccncc1)C(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22N4O3S/c1-22(13-9-16-7-11-21-12-8-16)19(24)10-14-23(27(2,25)26)18-5-3-17(15-20)4-6-18/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyDRMRQECXCGTVMZ-UHFFFAOYSA-N
XLogP1.81
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 113139775
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113146975) is 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is CN(CCc1ccncc1)C(=O)CCN(c1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is DRMRQECXCGTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-22(13-9-16-7-11-21-12-8-16)19(24)10-14-23(27(2,25)26)18-5-3-17(15-20)4-6-18/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 386.48 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113146975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).