N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

C24H18N4O2S — CID 1211130

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1
InChIInChI=1S/C24H18N4O2S/c1-16-12-13-26-24(27-16)31-15-20(29)28-23-19(14-25)21(17-8-4-2-5-9-17)22(30-23)18-10-6-3-7-11-18/h2-13H,15H2,1H3,(H,28,29)
InChIKeyKUMNMCKEKMGNPU-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.31
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 1211130) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
PubChem CID1211130
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1
InChIInChI=1S/C24H18N4O2S/c1-16-12-13-26-24(27-16)31-15-20(29)28-23-19(14-25)21(17-8-4-2-5-9-17)22(30-23)18-10-6-3-7-11-18/h2-13H,15H2,1H3,(H,28,29)
InChIKeyKUMNMCKEKMGNPU-UHFFFAOYSA-N
XLogP5.31
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CID 1211130) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is Cc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KUMNMCKEKMGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-16-12-13-26-24(27-16)31-15-20(29)28-23-19(14-25)21(17-8-4-2-5-9-17)22(30-23)18-10-6-3-7-11-18/h2-13H,15H2,1H3,(H,28,29).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 426.50 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1211130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).