N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C17H17N5O4S — CID 55766151

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCc1nc(-c2ccccc2NC(=O)CN(C)S(=O)(=O)c2cccnc2)no1
InChIInChI=1S/C17H17N5O4S/c1-12-19-17(21-26-12)14-7-3-4-8-15(14)20-16(23)11-22(2)27(24,25)13-6-5-9-18-10-13/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyLDJYUHXMNAOCBG-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 55766151) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID55766151
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCc1nc(-c2ccccc2NC(=O)CN(C)S(=O)(=O)c2cccnc2)no1
InChIInChI=1S/C17H17N5O4S/c1-12-19-17(21-26-12)14-7-3-4-8-15(14)20-16(23)11-22(2)27(24,25)13-6-5-9-18-10-13/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyLDJYUHXMNAOCBG-UHFFFAOYSA-N
XLogP1.70
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 55766151) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is Cc1nc(-c2ccccc2NC(=O)CN(C)S(=O)(=O)c2cccnc2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is LDJYUHXMNAOCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-12-19-17(21-26-12)14-7-3-4-8-15(14)20-16(23)11-22(2)27(24,25)13-6-5-9-18-10-13/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 387.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55766151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).