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

C16H19N3O3S — CID 648317

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-13-5-3-4-6-15(13)19(23(2,21)22)12-16(20)18-11-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyWKCGYBJSPACPFE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.47
Rot. Bonds6

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

2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 648317) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID648317
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C16H19N3O3S/c1-13-5-3-4-6-15(13)19(23(2,21)22)12-16(20)18-11-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyWKCGYBJSPACPFE-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 648317) is 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is Cc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is WKCGYBJSPACPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-5-3-4-6-15(13)19(23(2,21)22)12-16(20)18-11-14-7-9-17-10-8-14/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-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-(2-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 648317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).