2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide

C19H20N2O2S — CID 583822

IUPAC2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)N1CCCc2ccccc21)Nc1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-18(20-16-9-2-1-3-10-16)13-24-14-19(23)21-12-6-8-15-7-4-5-11-17(15)21/h1-5,7,9-11H,6,8,12-14H2,(H,20,22)
InChIKeyMQEFFKNSZUGYMA-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.34
Rot. Bonds5

About 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 583822) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID583822
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)N1CCCc2ccccc21)Nc1ccccc1
InChIInChI=1S/C19H20N2O2S/c22-18(20-16-9-2-1-3-10-16)13-24-14-19(23)21-12-6-8-15-7-4-5-11-17(15)21/h1-5,7,9-11H,6,8,12-14H2,(H,20,22)
InChIKeyMQEFFKNSZUGYMA-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 583822) is 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)N1CCCc2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is MQEFFKNSZUGYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(20-16-9-2-1-3-10-16)13-24-14-19(23)21-12-6-8-15-7-4-5-11-17(15)21/h1-5,7,9-11H,6,8,12-14H2,(H,20,22).
What are the key properties of 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 583822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).