2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C17H20N2O2S — CID 3147388

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(SCC(=O)NCC2CCCO2)nc2ccccc12
InChIInChI=1S/C17H20N2O2S/c1-12-9-17(19-15-7-3-2-6-14(12)15)22-11-16(20)18-10-13-5-4-8-21-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,18,20)
InChIKeyRXOWKPMKISYJCV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3147388) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3147388
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(SCC(=O)NCC2CCCO2)nc2ccccc12
InChIInChI=1S/C17H20N2O2S/c1-12-9-17(19-15-7-3-2-6-14(12)15)22-11-16(20)18-10-13-5-4-8-21-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,18,20)
InChIKeyRXOWKPMKISYJCV-UHFFFAOYSA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3147388) is 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(SCC(=O)NCC2CCCO2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RXOWKPMKISYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-9-17(19-15-7-3-2-6-14(12)15)22-11-16(20)18-10-13-5-4-8-21-13/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 316.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3147388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).