N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide

C17H20N2OS — CID 78761780

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C17H20N2OS/c1-4-19(11-13(2)3)17(20)12-21-16-10-9-14-7-5-6-8-15(14)18-16/h5-10H,2,4,11-12H2,1,3H3
InChIKeyYXXGQRKWJLSVEZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.75
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 78761780) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID78761780
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide
SMILESC=C(C)CN(CC)C(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C17H20N2OS/c1-4-19(11-13(2)3)17(20)12-21-16-10-9-14-7-5-6-8-15(14)18-16/h5-10H,2,4,11-12H2,1,3H3
InChIKeyYXXGQRKWJLSVEZ-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
N-ethyl-N-(2-methylprop-2-enyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095628
2-[(5-amino-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 43300945
N-ethyl-N-(2-methylprop-2-enyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47095346
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
CID 41165036
N-ethyl-N-(2-methylprop-2-enyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 47096035
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 7845425
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
1-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylethanone
CID 112781068
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide (CID 78761780) is N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide is C=C(C)CN(CC)C(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is YXXGQRKWJLSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-19(11-13(2)3)17(20)12-21-16-10-9-14-7-5-6-8-15(14)18-16/h5-10H,2,4,11-12H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 78761780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).