N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide

C17H20N2O5S — CID 3716143

IUPACN-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C17H20N2O5S/c1-11-8-12(2)10-13(9-11)17(20)19(25(5,21)22)14-6-7-15(23-3)18-16(14)24-4/h6-10H,1-5H3
InChIKeyGOQSZQJLGOCRCF-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.32
Rot. Bonds5

About N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide

N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide (PubChem CID 3716143) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide
PubChem CID3716143
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C17H20N2O5S/c1-11-8-12(2)10-13(9-11)17(20)19(25(5,21)22)14-6-7-15(23-3)18-16(14)24-4/h6-10H,1-5H3
InChIKeyGOQSZQJLGOCRCF-UHFFFAOYSA-N
XLogP2.32
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide (CID 3716143) is N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide is COc1ccc(N(C(=O)c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide?
The InChIKey is GOQSZQJLGOCRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11-8-12(2)10-13(9-11)17(20)19(25(5,21)22)14-6-7-15(23-3)18-16(14)24-4/h6-10H,1-5H3.
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide?
N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide has a molecular weight of 364.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-3,5-dimethyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 3716143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).