N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide

C19H16N2O2S — CID 9458317

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1oc(NC(=O)CSc2cccc3ccccc23)c(C#N)c1C
InChIInChI=1S/C19H16N2O2S/c1-12-13(2)23-19(16(12)10-20)21-18(22)11-24-17-9-5-7-14-6-3-4-8-15(14)17/h3-9H,11H2,1-2H3,(H,21,22)
InChIKeyRXILQMWYGPCTEP-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.65
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 9458317) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID9458317
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1oc(NC(=O)CSc2cccc3ccccc23)c(C#N)c1C
InChIInChI=1S/C19H16N2O2S/c1-12-13(2)23-19(16(12)10-20)21-18(22)11-24-17-9-5-7-14-6-3-4-8-15(14)17/h3-9H,11H2,1-2H3,(H,21,22)
InChIKeyRXILQMWYGPCTEP-UHFFFAOYSA-N
XLogP4.65
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 42126507
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39764289
(2R)-2-amino-3-[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61146954
N-(4-iodo-2,6-dimethylphenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 126189699
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16595572
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 108740197
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 43054288
N-(3-cyano-4,5-dimethylfuran-2-yl)-11-(1,3-dioxoisoindol-2-yl)undecanamide
CID 108762791
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide (CID 9458317) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide is Cc1oc(NC(=O)CSc2cccc3ccccc23)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is RXILQMWYGPCTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-12-13(2)23-19(16(12)10-20)21-18(22)11-24-17-9-5-7-14-6-3-4-8-15(14)17/h3-9H,11H2,1-2H3,(H,21,22).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 336.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 9458317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).