2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

C16H19N3O3S — CID 784331

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-6-8-15(9-7-13)19(23(2,21)22)12-16(20)18-11-14-5-3-4-10-17-14/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyAYGRYFWBNOGOPP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.47
Rot. Bonds6

About 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 784331) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID784331
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-6-8-15(9-7-13)19(23(2,21)22)12-16(20)18-11-14-5-3-4-10-17-14/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyAYGRYFWBNOGOPP-UHFFFAOYSA-N
XLogP1.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113155724
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447
3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 4589400
2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)acetamide
CID 17309406
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 784331) is 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AYGRYFWBNOGOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-6-8-15(9-7-13)19(23(2,21)22)12-16(20)18-11-14-5-3-4-10-17-14/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 784331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).