ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate

C15H17N3O5S — CID 3141694

IUPACethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1C#N
InChIInChI=1S/C15H17N3O5S/c1-3-23-15(21)12(19)17-13-10(8-16)9(2)11(24-13)14(20)18-4-6-22-7-5-18/h3-7H2,1-2H3,(H,17,19)
InChIKeyOXDQTXYZWZDQBK-UHFFFAOYSA-N
MW351.38 g/mol
LogP0.90
Rot. Bonds3

About ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate

ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate (PubChem CID 3141694) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate
PubChem CID3141694
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1C#N
InChIInChI=1S/C15H17N3O5S/c1-3-23-15(21)12(19)17-13-10(8-16)9(2)11(24-13)14(20)18-4-6-22-7-5-18/h3-7H2,1-2H3,(H,17,19)
InChIKeyOXDQTXYZWZDQBK-UHFFFAOYSA-N
XLogP0.90
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate with MolForge

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Related Compounds

N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
CID 1130935
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-1,3-benzodioxole-5-carboxamide
CID 648943
ethyl 4-cyano-3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
CID 41006259
2-morpholin-4-ylethyl N-(3-cyano-5-ethyl-4-methylthiophen-2-yl)carbamate
CID 71168964
N-[3-cyano-4-methyl-5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-4-methoxybenzamide
CID 1131597
ethyl 4-cyano-3-methyl-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-2-carboxylate
CID 23774614
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17062593
ethyl 4-cyano-3-methyl-5-[(2-methylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 123304418
ethyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1004833
ethyl 4-cyano-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 731725
2-chloro-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]benzamide
CID 1131109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate (CID 3141694) is ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1sc(C(=O)N2CCOCC2)c(C)c1C#N.
What is the InChIKey of ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate?
The InChIKey is OXDQTXYZWZDQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-3-23-15(21)12(19)17-13-10(8-16)9(2)11(24-13)14(20)18-4-6-22-7-5-18/h3-7H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate?
ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate has a molecular weight of 351.38 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 3141694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).