2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O4S — CID 2987071

IUPAC2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-20(13-17(21)19-12-14-6-4-5-11-18-14)25(22,23)16-9-7-15(24-2)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyVGLHMIXGLMEUFG-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.42
Rot. Bonds8

About 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2987071) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2987071
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-20(13-17(21)19-12-14-6-4-5-11-18-14)25(22,23)16-9-7-15(24-2)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyVGLHMIXGLMEUFG-UHFFFAOYSA-N
XLogP1.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 2987071) is 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is CCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VGLHMIXGLMEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-20(13-17(21)19-12-14-6-4-5-11-18-14)25(22,23)16-9-7-15(24-2)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2987071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).