[2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate

C10H11NO5S — CID 2630244

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C10H11NO5S/c1-2-15-10(14)11-8(12)6-16-9(13)7-4-3-5-17-7/h3-5H,2,6H2,1H3,(H,11,12,14)
InChIKeyNXWVQMCMQWNLSQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.18
Rot. Bonds4

About [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2630244) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2630244
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C10H11NO5S/c1-2-15-10(14)11-8(12)6-16-9(13)7-4-3-5-17-7/h3-5H,2,6H2,1H3,(H,11,12,14)
InChIKeyNXWVQMCMQWNLSQ-UHFFFAOYSA-N
XLogP1.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
Thiophene-2-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 650527
Thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl ester
CID 1084755
[2-(2-methylpropanoylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2388181
[2-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2092345
2-Thiophenecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester
CID 3000115
(2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
CID 2386750
(2-Amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
CID 2429049
[2-(Methylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2435348
2-(Dimethylamino)ethyl thiophene-2-carboxylate
CID 844444
[2-(Cyclopropylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2373948

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 2630244) is [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate is CCOC(=O)NC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is NXWVQMCMQWNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c1-2-15-10(14)11-8(12)6-16-9(13)7-4-3-5-17-7/h3-5H,2,6H2,1H3,(H,11,12,14).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 257.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2630244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).