propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate

C11H11NO3S2 — CID 133059840

IUPACpropan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
SMILESCC(C)OC(=O)c1cc2cc(C(N)=O)sc2s1
InChIInChI=1S/C11H11NO3S2/c1-5(2)15-10(14)8-4-6-3-7(9(12)13)16-11(6)17-8/h3-5H,1-2H3,(H2,12,13)
InChIKeyVJXDVLCLNPKXEV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.63
Rot. Bonds3

About propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate

propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate (PubChem CID 133059840) has the molecular formula C11H11NO3S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
PubChem CID133059840
Molecular FormulaC11H11NO3S2
Molecular Weight269.35 g/mol
Exact Mass269.02
IUPAC Namepropan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate
SMILESCC(C)OC(=O)c1cc2cc(C(N)=O)sc2s1
InChIInChI=1S/C11H11NO3S2/c1-5(2)15-10(14)8-4-6-3-7(9(12)13)16-11(6)17-8/h3-5H,1-2H3,(H2,12,13)
InChIKeyVJXDVLCLNPKXEV-UHFFFAOYSA-N
XLogP2.63
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
The IUPAC name of propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate (CID 133059840) is propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate.
What is the SMILES notation for propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
The canonical SMILES for propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate is CC(C)OC(=O)c1cc2cc(C(N)=O)sc2s1.
What is the InChIKey of propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
The InChIKey is VJXDVLCLNPKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S2/c1-5(2)15-10(14)8-4-6-3-7(9(12)13)16-11(6)17-8/h3-5H,1-2H3,(H2,12,13).
What are the key properties of propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate?
propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate has a molecular weight of 269.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-carbamoylthieno[2,3-b]thiophene-5-carboxylate is sourced from PubChem (CID 133059840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).