ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate

C10H13NO5S — CID 79345757

IUPACethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)OCCO
InChIInChI=1S/C10H13NO5S/c1-2-15-9(13)7-3-6-17-8(7)11-10(14)16-5-4-12/h3,6,12H,2,4-5H2,1H3,(H,11,14)
InChIKeyPEZBMQBAPGWIAP-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.47
Rot. Bonds5

About ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate

ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate (PubChem CID 79345757) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
PubChem CID79345757
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Nameethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)OCCO
InChIInChI=1S/C10H13NO5S/c1-2-15-9(13)7-3-6-17-8(7)11-10(14)16-5-4-12/h3,6,12H,2,4-5H2,1H3,(H,11,14)
InChIKeyPEZBMQBAPGWIAP-UHFFFAOYSA-N
XLogP1.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
ethyl 2-[3-(ethylamino)butanoylamino]thiophene-3-carboxylate
CID 62838371
ethyl 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]thiophene-3-carboxylate
CID 79207789
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate (CID 79345757) is ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)OCCO.
What is the InChIKey of ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate?
The InChIKey is PEZBMQBAPGWIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-2-15-9(13)7-3-6-17-8(7)11-10(14)16-5-4-12/h3,6,12H,2,4-5H2,1H3,(H,11,14).
What are the key properties of ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate?
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate has a molecular weight of 259.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 79345757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).