N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide

C21H22N2O2S — CID 6622576

IUPACN-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide
SMILESCCn1c(=O)cc(SCC(=O)N(C)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O2S/c1-3-23-18-12-8-7-11-17(18)19(13-20(23)24)26-15-21(25)22(2)14-16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3
InChIKeyIFJVVTBQFLCCRM-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.77
Rot. Bonds6

About N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide

N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 6622576) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide
PubChem CID6622576
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide
SMILESCCn1c(=O)cc(SCC(=O)N(C)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C21H22N2O2S/c1-3-23-18-12-8-7-11-17(18)19(13-20(23)24)26-15-21(25)22(2)14-16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3
InChIKeyIFJVVTBQFLCCRM-UHFFFAOYSA-N
XLogP3.77
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide (CID 6622576) is N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide is CCn1c(=O)cc(SCC(=O)N(C)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is IFJVVTBQFLCCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-23-18-12-8-7-11-17(18)19(13-20(23)24)26-15-21(25)22(2)14-16-9-5-4-6-10-16/h4-13H,3,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide?
N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 6622576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).