N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide

C28H19N3O2S — CID 39765916

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide
SMILESN#Cc1c(NC(=O)CSc2ccc3ccccc3n2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H19N3O2S/c29-17-22-26(20-10-3-1-4-11-20)27(21-12-5-2-6-13-21)33-28(22)31-24(32)18-34-25-16-15-19-9-7-8-14-23(19)30-25/h1-16H,18H2,(H,31,32)
InChIKeyUIMLXYPCJWQPRL-UHFFFAOYSA-N
MW461.55 g/mol
LogP6.76
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 39765916) has the molecular formula C28H19N3O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID39765916
Molecular FormulaC28H19N3O2S
Molecular Weight461.55 g/mol
Exact Mass461.12
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide
SMILESN#Cc1c(NC(=O)CSc2ccc3ccccc3n2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H19N3O2S/c29-17-22-26(20-10-3-1-4-11-20)27(21-12-5-2-6-13-21)33-28(22)31-24(32)18-34-25-16-15-19-9-7-8-14-23(19)30-25/h1-16H,18H2,(H,31,32)
InChIKeyUIMLXYPCJWQPRL-UHFFFAOYSA-N
XLogP6.76
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.55
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide (CID 39765916) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide is N#Cc1c(NC(=O)CSc2ccc3ccccc3n2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is UIMLXYPCJWQPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O2S/c29-17-22-26(20-10-3-1-4-11-20)27(21-12-5-2-6-13-21)33-28(22)31-24(32)18-34-25-16-15-19-9-7-8-14-23(19)30-25/h1-16H,18H2,(H,31,32).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 461.55 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 39765916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).