methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate

C17H15N3O5 — CID 108757369

IUPACmethyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2cccc(NC(C)=O)c2)c1C#N
InChIInChI=1S/C17H15N3O5/c1-9-14(17(23)24-3)13(8-18)16(25-9)20-15(22)11-5-4-6-12(7-11)19-10(2)21/h4-7H,1-3H3,(H,19,21)(H,20,22)
InChIKeyWSARTQWXZNLUQX-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.46
Rot. Bonds4

About methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate

methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 108757369) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
PubChem CID108757369
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Namemethyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NC(=O)c2cccc(NC(C)=O)c2)c1C#N
InChIInChI=1S/C17H15N3O5/c1-9-14(17(23)24-3)13(8-18)16(25-9)20-15(22)11-5-4-6-12(7-11)19-10(2)21/h4-7H,1-3H3,(H,19,21)(H,20,22)
InChIKeyWSARTQWXZNLUQX-UHFFFAOYSA-N
XLogP2.46
TPSA121.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108781661
methyl 4-cyano-2-methyl-5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
methyl 4-cyano-2-methyl-5-(4-phenoxybutanoylamino)furan-3-carboxylate
CID 108757360
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate (CID 108757369) is methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NC(=O)c2cccc(NC(C)=O)c2)c1C#N.
What is the InChIKey of methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is WSARTQWXZNLUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-9-14(17(23)24-3)13(8-18)16(25-9)20-15(22)11-5-4-6-12(7-11)19-10(2)21/h4-7H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate?
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 341.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108757369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).