ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate

C17H19N3O4S — CID 78822052

IUPACethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(C)CCC#N
InChIInChI=1S/C17H19N3O4S/c1-3-23-17(22)15-12(13-6-4-9-24-13)11-25-16(15)19-14(21)10-20(2)8-5-7-18/h4,6,9,11H,3,5,8,10H2,1-2H3,(H,19,21)
InChIKeyHQCFTECYYZQPCH-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.97
Rot. Bonds8

About ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate

ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate (PubChem CID 78822052) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
PubChem CID78822052
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Nameethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(C)CCC#N
InChIInChI=1S/C17H19N3O4S/c1-3-23-17(22)15-12(13-6-4-9-24-13)11-25-16(15)19-14(21)10-20(2)8-5-7-18/h4,6,9,11H,3,5,8,10H2,1-2H3,(H,19,21)
InChIKeyHQCFTECYYZQPCH-UHFFFAOYSA-N
XLogP2.97
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate
CID 78821480
ethyl 4-(furan-2-yl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate
CID 55360207
ethyl 4-(furan-2-yl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 55550625
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
ethyl 4-(furan-2-yl)-2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 135891163
ethyl 4-(furan-2-yl)-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 5150893
ethyl 4-(furan-2-yl)-2-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4793962
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
ethyl 4-(furan-2-yl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 7499713
ethyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 55498418
ethyl 4-(furan-2-yl)-2-[[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]amino]thiophene-3-carboxylate
CID 112771105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate (CID 78822052) is ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)CN(C)CCC#N.
What is the InChIKey of ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
The InChIKey is HQCFTECYYZQPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-3-23-17(22)15-12(13-6-4-9-24-13)11-25-16(15)19-14(21)10-20(2)8-5-7-18/h4,6,9,11H,3,5,8,10H2,1-2H3,(H,19,21).
What are the key properties of ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate?
ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-cyanoethyl(methyl)amino]acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 78822052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).