N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide

C16H18N2O4S — CID 47020507

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)ccn1
InChIInChI=1S/C16H18N2O4S/c1-11-4-5-13(23(3,20)21)9-14(11)16(19)18-10-12-6-7-17-15(8-12)22-2/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyQGAXNWMWCPCMQU-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.73
Rot. Bonds5

About N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide

N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 47020507) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID47020507
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)ccn1
InChIInChI=1S/C16H18N2O4S/c1-11-4-5-13(23(3,20)21)9-14(11)16(19)18-10-12-6-7-17-15(8-12)22-2/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyQGAXNWMWCPCMQU-UHFFFAOYSA-N
XLogP1.73
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-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-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide (CID 47020507) is N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide is COc1cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is QGAXNWMWCPCMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-4-5-13(23(3,20)21)9-14(11)16(19)18-10-12-6-7-17-15(8-12)22-2/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide?
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 47020507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).