N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

C17H16N2O3S — CID 3243356

IUPACN-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-19-14-7-3-2-6-13(14)15(9-17(19)21)23-11-16(20)18-10-12-5-4-8-22-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyUPAYAGUKDGQMOH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 3243356) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID3243356
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-19-14-7-3-2-6-13(14)15(9-17(19)21)23-11-16(20)18-10-12-5-4-8-22-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyUPAYAGUKDGQMOH-UHFFFAOYSA-N
XLogP2.54
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
4-benzyl-N-(2-furylmethyl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 6620067
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-(2-methylphenyl)-2-furamide
CID 2246088
3-Furan-2-ylmethyl-1-(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-thiophen-2-ylmethyl-thiourea
CID 1141373
N-[3-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 1331247
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
N-(2-furylmethyl)-N'-[4-(4-morpholinylcarbonyl)phenyl]thiourea
CID 970217
N-{4-[(phenylthio)methyl]phenyl}-2-furamide
CID 975641
N-[4-(benzylcarbamoyl)phenyl]furan-2-carboxamide
CID 977240

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 3243356) is N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is Cn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is UPAYAGUKDGQMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-19-14-7-3-2-6-13(14)15(9-17(19)21)23-11-16(20)18-10-12-5-4-8-22-12/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 328.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3243356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).