[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate

C15H21N3O6S — CID 18078193

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1c(NC(C)=O)sc(C)c1C
InChIInChI=1S/C15H21N3O6S/c1-8-9(2)25-13(17-10(3)19)12(8)14(21)24-7-11(20)18-15(22)16-5-6-23-4/h5-7H2,1-4H3,(H,17,19)(H2,16,18,20,22)
InChIKeyQGOQJQHAHSHFBA-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.95
Rot. Bonds7

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate (PubChem CID 18078193) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
PubChem CID18078193
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1c(NC(C)=O)sc(C)c1C
InChIInChI=1S/C15H21N3O6S/c1-8-9(2)25-13(17-10(3)19)12(8)14(21)24-7-11(20)18-15(22)16-5-6-23-4/h5-7H2,1-4H3,(H,17,19)(H2,16,18,20,22)
InChIKeyQGOQJQHAHSHFBA-UHFFFAOYSA-N
XLogP0.95
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483536
[2-(4-acetamidoanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483644
butyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18098380
2-(2-methoxyethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63113507
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 27541761
[2-(4-ethylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483579
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483554
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 4644275
[2-(1-adamantylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 3941518
[2-(2-chloroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2339854
[2-(2-acetylanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483358
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7278585

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate (CID 18078193) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate is COCCNC(=O)NC(=O)COC(=O)c1c(NC(C)=O)sc(C)c1C.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is QGOQJQHAHSHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S/c1-8-9(2)25-13(17-10(3)19)12(8)14(21)24-7-11(20)18-15(22)16-5-6-23-4/h5-7H2,1-4H3,(H,17,19)(H2,16,18,20,22).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 18078193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).