methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate

C11H9NO3S2 — CID 2807638

IUPACmethyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cccs1
InChIInChI=1S/C11H9NO3S2/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
InChIKeyKDIUXLDOFBPLPL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds3

About methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate

methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 2807638) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate
PubChem CID2807638
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC Namemethyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cccs1
InChIInChI=1S/C11H9NO3S2/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
InChIKeyKDIUXLDOFBPLPL-UHFFFAOYSA-N
XLogP2.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate (CID 2807638) is methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cccs1.
What is the InChIKey of methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is KDIUXLDOFBPLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate?
methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(thiophene-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 2807638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).