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

C25H18N2O2S — CID 2234351

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
SMILESN#Cc1c(NC(=O)CSc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H18N2O2S/c26-16-21-23(18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)29-25(21)27-22(28)17-30-20-14-8-3-9-15-20/h1-15H,17H2,(H,27,28)
InChIKeyBJESIILBCGQKGD-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.22
Rot. Bonds6

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

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide (PubChem CID 2234351) has the molecular formula C25H18N2O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
PubChem CID2234351
Molecular FormulaC25H18N2O2S
Molecular Weight410.50 g/mol
Exact Mass410.11
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
SMILESN#Cc1c(NC(=O)CSc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H18N2O2S/c26-16-21-23(18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)29-25(21)27-22(28)17-30-20-14-8-3-9-15-20/h1-15H,17H2,(H,27,28)
InChIKeyBJESIILBCGQKGD-UHFFFAOYSA-N
XLogP6.22
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide
CID 39765916
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 108757680
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 46305635
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126197840
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23876644

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide (CID 2234351) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide is N#Cc1c(NC(=O)CSc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is BJESIILBCGQKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2S/c26-16-21-23(18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)29-25(21)27-22(28)17-30-20-14-8-3-9-15-20/h1-15H,17H2,(H,27,28).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 410.50 g/mol, XLogP of 6.22, 6 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-diphenylfuran-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2234351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).