[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C14H19N3O5S — CID 7808026

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H19N3O5S/c1-9(2)6-16-14(21)17-11(18)8-22-12(19)7-15-13(20)10-4-3-5-23-10/h3-5,9H,6-8H2,1-2H3,(H,15,20)(H2,16,17,18,21)
InChIKeyMGMIKRQGTKQKLI-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.50
Rot. Bonds7

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7808026) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID7808026
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C14H19N3O5S/c1-9(2)6-16-14(21)17-11(18)8-22-12(19)7-15-13(20)10-4-3-5-23-10/h3-5,9H,6-8H2,1-2H3,(H,15,20)(H2,16,17,18,21)
InChIKeyMGMIKRQGTKQKLI-UHFFFAOYSA-N
XLogP0.50
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807951
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878911
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662447
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7519386
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 16598721
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 41146817
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808095

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 7808026) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is CC(C)CNC(=O)NC(=O)COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is MGMIKRQGTKQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-9(2)6-16-14(21)17-11(18)8-22-12(19)7-15-13(20)10-4-3-5-23-10/h3-5,9H,6-8H2,1-2H3,(H,15,20)(H2,16,17,18,21).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 341.39 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7808026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).