2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

C17H21N3O4S — CID 2344800

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)no1
InChIInChI=1S/C17H21N3O4S/c1-12-6-7-14(25(22,23)20-8-4-3-5-9-20)11-15(12)17(21)18-16-10-13(2)24-19-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyTZHSXBGDJAKCAZ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2344800) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2344800
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)no1
InChIInChI=1S/C17H21N3O4S/c1-12-6-7-14(25(22,23)20-8-4-3-5-9-20)11-15(12)17(21)18-16-10-13(2)24-19-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21)
InChIKeyTZHSXBGDJAKCAZ-UHFFFAOYSA-N
XLogP2.72
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide (CID 2344800) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is TZHSXBGDJAKCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-6-7-14(25(22,23)20-8-4-3-5-9-20)11-15(12)17(21)18-16-10-13(2)24-19-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2344800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).