N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C18H17N3O3S — CID 2622916

IUPACN-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2ccccc12
InChIInChI=1S/C18H17N3O3S/c1-12-9-17(20-15-7-3-2-6-14(12)15)25-11-16(22)21-18(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H2,19,21,22,23)
InChIKeyGPUHKBPISFCFOV-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.25
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2622916) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2622916
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2ccccc12
InChIInChI=1S/C18H17N3O3S/c1-12-9-17(20-15-7-3-2-6-14(12)15)25-11-16(22)21-18(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H2,19,21,22,23)
InChIKeyGPUHKBPISFCFOV-UHFFFAOYSA-N
XLogP3.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2622916) is N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is GPUHKBPISFCFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12-9-17(20-15-7-3-2-6-14(12)15)25-11-16(22)21-18(23)19-10-13-5-4-8-24-13/h2-9H,10-11H2,1H3,(H2,19,21,22,23).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2622916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).