2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide

C21H20N2O4S — CID 166793702

IUPAC2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2cc(COc3ccc(S(C)(=O)=O)cc3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H20N2O4S/c1-14-11-16(3-8-19(14)21(22)24)20-12-15(9-10-23-20)13-27-17-4-6-18(7-5-17)28(2,25)26/h3-12H,13H2,1-2H3,(H2,22,24)
InChIKeyCIWKYXQRPUDZKD-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.14
Rot. Bonds6

About 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide

2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide (PubChem CID 166793702) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide
PubChem CID166793702
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide
SMILESCc1cc(-c2cc(COc3ccc(S(C)(=O)=O)cc3)ccn2)ccc1C(N)=O
InChIInChI=1S/C21H20N2O4S/c1-14-11-16(3-8-19(14)21(22)24)20-12-15(9-10-23-20)13-27-17-4-6-18(7-5-17)28(2,25)26/h3-12H,13H2,1-2H3,(H2,22,24)
InChIKeyCIWKYXQRPUDZKD-UHFFFAOYSA-N
XLogP3.14
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide (CID 166793702) is 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide is Cc1cc(-c2cc(COc3ccc(S(C)(=O)=O)cc3)ccn2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide?
The InChIKey is CIWKYXQRPUDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-14-11-16(3-8-19(14)21(22)24)20-12-15(9-10-23-20)13-27-17-4-6-18(7-5-17)28(2,25)26/h3-12H,13H2,1-2H3,(H2,22,24).
What are the key properties of 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide?
2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 166793702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).