N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide

C17H22N2OS — CID 857646

IUPACN,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)N(CC)CC
InChIInChI=1S/C17H22N2OS/c1-4-13-11-14-9-7-8-10-15(14)18-17(13)21-12-16(20)19(5-2)6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyADNNKFZUDQQFSF-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.76
Rot. Bonds6

About N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide

N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide (PubChem CID 857646) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
PubChem CID857646
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)N(CC)CC
InChIInChI=1S/C17H22N2OS/c1-4-13-11-14-9-7-8-10-15(14)18-17(13)21-12-16(20)19(5-2)6-3/h7-11H,4-6,12H2,1-3H3
InChIKeyADNNKFZUDQQFSF-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide (CID 857646) is N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide is CCc1cc2ccccc2nc1SCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ADNNKFZUDQQFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-13-11-14-9-7-8-10-15(14)18-17(13)21-12-16(20)19(5-2)6-3/h7-11H,4-6,12H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 302.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 857646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).