methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate

C12H11NO4S — CID 2766431

IUPACmethyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
SMILESCNC(=O)c1ccc(-c2ccsc2C(=O)OC)o1
InChIInChI=1S/C12H11NO4S/c1-13-11(14)9-4-3-8(17-9)7-5-6-18-10(7)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyBKUOOVDLYSRPQO-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.15
Rot. Bonds3

About methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate

methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate (PubChem CID 2766431) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
PubChem CID2766431
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Namemethyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate
SMILESCNC(=O)c1ccc(-c2ccsc2C(=O)OC)o1
InChIInChI=1S/C12H11NO4S/c1-13-11(14)9-4-3-8(17-9)7-5-6-18-10(7)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyBKUOOVDLYSRPQO-UHFFFAOYSA-N
XLogP2.15
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate (CID 2766431) is methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate is CNC(=O)c1ccc(-c2ccsc2C(=O)OC)o1.
What is the InChIKey of methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
The InChIKey is BKUOOVDLYSRPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-13-11(14)9-4-3-8(17-9)7-5-6-18-10(7)12(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate?
methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(methylcarbamoyl)furan-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2766431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).