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

C12H15NO3S — CID 5310206

IUPACethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)10-7(2)6-9(17-10)13-11(14)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyFASXGTYXLRDMJX-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.58
Rot. Bonds4

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

ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 5310206) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID5310206
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CC2)cc1C
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)10-7(2)6-9(17-10)13-11(14)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyFASXGTYXLRDMJX-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate (CID 5310206) is ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CC2)cc1C.
What is the InChIKey of ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is FASXGTYXLRDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-16-12(15)10-7(2)6-9(17-10)13-11(14)8-4-5-8/h6,8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 5310206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).