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

C13H17NO3S — CID 2337096

IUPACethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCC2)cc1C
InChIInChI=1S/C13H17NO3S/c1-3-17-13(16)11-8(2)7-10(18-11)14-12(15)9-5-4-6-9/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyXKKTYBSRMIYDGW-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.97
Rot. Bonds4

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

ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 2337096) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID2337096
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Nameethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCC2)cc1C
InChIInChI=1S/C13H17NO3S/c1-3-17-13(16)11-8(2)7-10(18-11)14-12(15)9-5-4-6-9/h7,9H,3-6H2,1-2H3,(H,14,15)
InChIKeyXKKTYBSRMIYDGW-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate (CID 2337096) is ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CCC2)cc1C.
What is the InChIKey of ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is XKKTYBSRMIYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-17-13(16)11-8(2)7-10(18-11)14-12(15)9-5-4-6-9/h7,9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclobutanecarbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2337096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).