[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C27H19N5O4 — CID 23799884

IUPAC[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESN#Cc1c(NC(=O)COC(=O)Cn2nnc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H19N5O4/c28-15-20-25(18-9-3-1-4-10-18)26(19-11-5-2-6-12-19)36-27(20)29-23(33)17-35-24(34)16-32-22-14-8-7-13-21(22)30-31-32/h1-14H,16-17H2,(H,29,33)
InChIKeyNGXSKOCMPVSMSZ-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.41
Rot. Bonds7

About [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 23799884) has the molecular formula C27H19N5O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID23799884
Molecular FormulaC27H19N5O4
Molecular Weight477.48 g/mol
Exact Mass477.14
IUPAC Name[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESN#Cc1c(NC(=O)COC(=O)Cn2nnc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H19N5O4/c28-15-20-25(18-9-3-1-4-10-18)26(19-11-5-2-6-12-19)36-27(20)29-23(33)17-35-24(34)16-32-22-14-8-7-13-21(22)30-31-32/h1-14H,16-17H2,(H,29,33)
InChIKeyNGXSKOCMPVSMSZ-UHFFFAOYSA-N
XLogP4.41
TPSA123.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate with MolForge

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 23735196
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23876644
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 23940783
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide
CID 39765916
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
CID 25037674

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 23799884) is [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is N#Cc1c(NC(=O)COC(=O)Cn2nnc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is NGXSKOCMPVSMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O4/c28-15-20-25(18-9-3-1-4-10-18)26(19-11-5-2-6-12-19)36-27(20)29-23(33)17-35-24(34)16-32-22-14-8-7-13-21(22)30-31-32/h1-14H,16-17H2,(H,29,33).
What are the key properties of [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 477.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 23799884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).