2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide

C16H18N2O3S — CID 18587064

IUPAC2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-22(20,21)14-9-7-13(8-10-14)11-16(19)18-15-6-4-5-12(2)17-15/h4-10H,3,11H2,1-2H3,(H,17,18,19)
InChIKeyCWRNWIWJYSXGBR-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide

2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 18587064) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID18587064
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C16H18N2O3S/c1-3-22(20,21)14-9-7-13(8-10-14)11-16(19)18-15-6-4-5-12(2)17-15/h4-10H,3,11H2,1-2H3,(H,17,18,19)
InChIKeyCWRNWIWJYSXGBR-UHFFFAOYSA-N
XLogP2.36
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide (CID 18587064) is 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is CWRNWIWJYSXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-22(20,21)14-9-7-13(8-10-14)11-16(19)18-15-6-4-5-12(2)17-15/h4-10H,3,11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 18587064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).