2-tert-butylsulfanyl-N-quinolin-5-ylacetamide

C15H18N2OS — CID 8895127

IUPAC2-tert-butylsulfanyl-N-quinolin-5-ylacetamide
SMILESCC(C)(C)SCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C15H18N2OS/c1-15(2,3)19-10-14(18)17-13-8-4-7-12-11(13)6-5-9-16-12/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyXATQTZSNZSDALP-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.70
Rot. Bonds3

About 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide

2-tert-butylsulfanyl-N-quinolin-5-ylacetamide (PubChem CID 8895127) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-quinolin-5-ylacetamide
PubChem CID8895127
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-tert-butylsulfanyl-N-quinolin-5-ylacetamide
SMILESCC(C)(C)SCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C15H18N2OS/c1-15(2,3)19-10-14(18)17-13-8-4-7-12-11(13)6-5-9-16-12/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyXATQTZSNZSDALP-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide (CID 8895127) is 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide is CC(C)(C)SCC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide?
The InChIKey is XATQTZSNZSDALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)19-10-14(18)17-13-8-4-7-12-11(13)6-5-9-16-12/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide?
2-tert-butylsulfanyl-N-quinolin-5-ylacetamide has a molecular weight of 274.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-quinolin-5-ylacetamide is sourced from PubChem (CID 8895127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).