N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide

C16H18N2O4S — CID 13440636

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C16H18N2O4S/c1-10-7-11(2)17-15(8-10)18-16(19)13-9-12(23(4,20)21)5-6-14(13)22-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyUMGJLLSTZGBUFR-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.36
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide

N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide (PubChem CID 13440636) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide
PubChem CID13440636
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide
SMILESCOc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C16H18N2O4S/c1-10-7-11(2)17-15(8-10)18-16(19)13-9-12(23(4,20)21)5-6-14(13)22-3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyUMGJLLSTZGBUFR-UHFFFAOYSA-N
XLogP2.36
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide (CID 13440636) is N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide is COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide?
The InChIKey is UMGJLLSTZGBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-7-11(2)17-15(8-10)18-16(19)13-9-12(23(4,20)21)5-6-14(13)22-3/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide?
N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 2.36, 4 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)-2-methoxy-5-methylsulfonylbenzamide is sourced from PubChem (CID 13440636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).