N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide

C17H16F2N2O3S — CID 23204590

IUPACN-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
SMILESCSc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCOC1
InChIInChI=1S/C17H16F2N2O3S/c1-25-15-3-2-10(6-14(15)24-11-4-5-23-9-11)17(22)21-16-12(18)7-20-8-13(16)19/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,21,22)
InChIKeyKTIQMZCDELNHFB-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.50
Rot. Bonds5

About N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide

N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide (PubChem CID 23204590) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
PubChem CID23204590
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide
SMILESCSc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCOC1
InChIInChI=1S/C17H16F2N2O3S/c1-25-15-3-2-10(6-14(15)24-11-4-5-23-9-11)17(22)21-16-12(18)7-20-8-13(16)19/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,21,22)
InChIKeyKTIQMZCDELNHFB-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide (CID 23204590) is N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide is CSc1ccc(C(=O)Nc2c(F)cncc2F)cc1OC1CCOC1.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
The InChIKey is KTIQMZCDELNHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c1-25-15-3-2-10(6-14(15)24-11-4-5-23-9-11)17(22)21-16-12(18)7-20-8-13(16)19/h2-3,6-8,11H,4-5,9H2,1H3,(H,20,21,22).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide?
N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide has a molecular weight of 366.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 23204590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).