2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C17H21N3O4S — CID 2461252

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-15-6-8-16(9-7-15)25(22,23)19-12-17(21)20(2)13-14-5-4-10-18-11-14/h4-11,19H,3,12-13H2,1-2H3
InChIKeyOFIZJSFBAWEOGK-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.42
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2461252) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2461252
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccnc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-15-6-8-16(9-7-15)25(22,23)19-12-17(21)20(2)13-14-5-4-10-18-11-14/h4-11,19H,3,12-13H2,1-2H3
InChIKeyOFIZJSFBAWEOGK-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-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 2461252) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccnc2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OFIZJSFBAWEOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-24-15-6-8-16(9-7-15)25(22,23)19-12-17(21)20(2)13-14-5-4-10-18-11-14/h4-11,19H,3,12-13H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-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-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2461252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).