2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

C19H26N2OS — CID 857618

IUPAC2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H26N2OS/c1-6-15-11-16-9-7-8-10-17(16)20-19(15)23-12-18(22)21(13(2)3)14(4)5/h7-11,13-14H,6,12H2,1-5H3
InChIKeyGAPXCFYRUZDINJ-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.53
Rot. Bonds6

About 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 857618) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID857618
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C19H26N2OS/c1-6-15-11-16-9-7-8-10-17(16)20-19(15)23-12-18(22)21(13(2)3)14(4)5/h7-11,13-14H,6,12H2,1-5H3
InChIKeyGAPXCFYRUZDINJ-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 857618) is 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is CCc1cc2ccccc2nc1SCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is GAPXCFYRUZDINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-6-15-11-16-9-7-8-10-17(16)20-19(15)23-12-18(22)21(13(2)3)14(4)5/h7-11,13-14H,6,12H2,1-5H3.
What are the key properties of 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 330.50 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylquinolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 857618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).