ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate

C13H17NO3S — CID 658822

IUPACethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C1CC1
InChIInChI=1S/C13H17NO3S/c1-3-9-7-10(13(16)17-4-2)12(18-9)14-11(15)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyFHAOLQDTLWBADQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate

ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate (PubChem CID 658822) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate
PubChem CID658822
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C1CC1
InChIInChI=1S/C13H17NO3S/c1-3-9-7-10(13(16)17-4-2)12(18-9)14-11(15)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyFHAOLQDTLWBADQ-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate (CID 658822) is ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)C1CC1.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate?
The InChIKey is FHAOLQDTLWBADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-9-7-10(13(16)17-4-2)12(18-9)14-11(15)8-5-6-8/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate?
ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 658822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).