ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate

C11H14N2O4S — CID 60660981

IUPACethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C11H14N2O4S/c1-2-17-9(15)4-3-8(14)13-11-7(10(12)16)5-6-18-11/h5-6H,2-4H2,1H3,(H2,12,16)(H,13,14)
InChIKeyNROYXUSLVGXYAZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.13
Rot. Bonds6

About ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate

ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate (PubChem CID 60660981) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
PubChem CID60660981
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Nameethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C11H14N2O4S/c1-2-17-9(15)4-3-8(14)13-11-7(10(12)16)5-6-18-11/h5-6H,2-4H2,1H3,(H2,12,16)(H,13,14)
InChIKeyNROYXUSLVGXYAZ-UHFFFAOYSA-N
XLogP1.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62011447
2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212510
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate (CID 60660981) is ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate?
The InChIKey is NROYXUSLVGXYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-17-9(15)4-3-8(14)13-11-7(10(12)16)5-6-18-11/h5-6H,2-4H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate?
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate has a molecular weight of 270.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 60660981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).