3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide

C18H22ClN3O3S — CID 113144323

IUPAC3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C18H22ClN3O3S/c1-13-10-14(2)18(16(19)11-13)22(26(3,24)25)9-7-17(23)21-12-15-6-4-5-8-20-15/h4-6,8,10-11H,7,9,12H2,1-3H3,(H,21,23)
InChIKeyWCVOJDDBTZWKAU-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.82
Rot. Bonds7

About 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide

3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 113144323) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID113144323
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cc(C)c(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C18H22ClN3O3S/c1-13-10-14(2)18(16(19)11-13)22(26(3,24)25)9-7-17(23)21-12-15-6-4-5-8-20-15/h4-6,8,10-11H,7,9,12H2,1-3H3,(H,21,23)
InChIKeyWCVOJDDBTZWKAU-UHFFFAOYSA-N
XLogP2.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
N-(furan-2-ylmethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143143
2-[(3,4-dichlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 21373434
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
2-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113155019
3-(N-acetyl-5-chloro-2-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113127697
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144326

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide (CID 113144323) is 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is Cc1cc(C)c(N(CCC(=O)NCc2ccccn2)S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is WCVOJDDBTZWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13-10-14(2)18(16(19)11-13)22(26(3,24)25)9-7-17(23)21-12-15-6-4-5-8-20-15/h4-6,8,10-11H,7,9,12H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide?
3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 395.91 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 113144323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).