[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate

C13H18N2O4S — CID 7648583

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1cc(C)sc1C
InChIInChI=1S/C13H18N2O4S/c1-4-5-14-13(18)15-11(16)7-19-12(17)10-6-8(2)20-9(10)3/h6H,4-5,7H2,1-3H3,(H2,14,15,16,18)
InChIKeyBFJKGRNZVDLWJI-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.76
Rot. Bonds5

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 7648583) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID7648583
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCCCNC(=O)NC(=O)COC(=O)c1cc(C)sc1C
InChIInChI=1S/C13H18N2O4S/c1-4-5-14-13(18)15-11(16)7-19-12(17)10-6-8(2)20-9(10)3/h6H,4-5,7H2,1-3H3,(H2,14,15,16,18)
InChIKeyBFJKGRNZVDLWJI-UHFFFAOYSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197386
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
CID 2544060
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197384
[2-oxo-2-(propylcarbamoylamino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7835299
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 38866405
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-amino-4-nitrobenzoate
CID 18085469
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511158
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878689
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824857
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2572607

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate (CID 7648583) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate is CCCNC(=O)NC(=O)COC(=O)c1cc(C)sc1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is BFJKGRNZVDLWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-4-5-14-13(18)15-11(16)7-19-12(17)10-6-8(2)20-9(10)3/h6H,4-5,7H2,1-3H3,(H2,14,15,16,18).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 7648583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).