[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate

C18H19N3O5S — CID 24586816

IUPAC[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C18H19N3O5S/c1-8-10(3)26-16(13(8)6-19)21-14(23)7-25-18(24)15-9(2)11(4)27-17(15)20-12(5)22/h7H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyUTUUHZSPFHPKHM-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.20
Rot. Bonds5

About [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate

[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate (PubChem CID 24586816) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
PubChem CID24586816
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C18H19N3O5S/c1-8-10(3)26-16(13(8)6-19)21-14(23)7-25-18(24)15-9(2)11(4)27-17(15)20-12(5)22/h7H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyUTUUHZSPFHPKHM-UHFFFAOYSA-N
XLogP3.20
TPSA121.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483644
[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 24593266
[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 24593271
[2-(4-ethylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483579
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483554
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483536
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849
[2-(2-chloroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2339854
[2-(2-acetylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483358
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7306281
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7634724
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18078193

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate (CID 24586816) is [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate is CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N.
What is the InChIKey of [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is UTUUHZSPFHPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-8-10(3)26-16(13(8)6-19)21-14(23)7-25-18(24)15-9(2)11(4)27-17(15)20-12(5)22/h7H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 24586816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).