N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide

C17H20N2O4S — CID 13440637

IUPACN-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(OC)c(C(=O)Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C17H20N2O4S/c1-5-24(21,22)13-6-7-15(23-4)14(10-13)17(20)19-16-9-11(2)8-12(3)18-16/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyFEVVVYZMCPCDJV-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.75
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide

N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide (PubChem CID 13440637) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide
PubChem CID13440637
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide
SMILESCCS(=O)(=O)c1ccc(OC)c(C(=O)Nc2cc(C)cc(C)n2)c1
InChIInChI=1S/C17H20N2O4S/c1-5-24(21,22)13-6-7-15(23-4)14(10-13)17(20)19-16-9-11(2)8-12(3)18-16/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyFEVVVYZMCPCDJV-UHFFFAOYSA-N
XLogP2.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide (CID 13440637) is N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide is CCS(=O)(=O)c1ccc(OC)c(C(=O)Nc2cc(C)cc(C)n2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide?
The InChIKey is FEVVVYZMCPCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-5-24(21,22)13-6-7-15(23-4)14(10-13)17(20)19-16-9-11(2)8-12(3)18-16/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide?
N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide has a molecular weight of 348.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide is sourced from PubChem (CID 13440637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).