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

C12H11NO4S — CID 67087275

IUPACmethyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccco2)s1
InChIInChI=1S/C12H11NO4S/c1-13(10-4-3-7-17-10)11(14)8-5-6-9(18-8)12(15)16-2/h3-7H,1-2H3
InChIKeyXQODUUSDYZEHEZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.40
Rot. Bonds3

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

methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate (PubChem CID 67087275) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate
PubChem CID67087275
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Namemethyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)c2ccco2)s1
InChIInChI=1S/C12H11NO4S/c1-13(10-4-3-7-17-10)11(14)8-5-6-9(18-8)12(15)16-2/h3-7H,1-2H3
InChIKeyXQODUUSDYZEHEZ-UHFFFAOYSA-N
XLogP2.40
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[methyl(1,2-oxazol-5-yl)carbamoyl]thiophene-2-carboxylate
CID 67087048
methyl 5-(dimethylamino)thiophene-2-carboxylate
CID 10773874
methyl 5-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 47143664
hydrazine;5-methoxycarbonylthiophene-2-carboxylic acid
CID 159424463
methyl 5-[(2-fluorophenyl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 134047005
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
CID 4072395
(2,5-dioxopyrrolidin-1-yl) N-(furan-2-yl)-N-methylcarbamate
CID 18523032
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carboxylate
CID 75425998
methyl (2S)-2-[benzoyl(furan-2-yl)amino]propanoate
CID 70397123
methyl 5-(2,2-dibromoacetyl)thiophene-2-carboxylate
CID 57362687
2-O-(2-methoxyphenyl) 5-O-methyl thiophene-2,5-dicarboxylate
CID 87011686

Frequently Asked Questions

What is the IUPAC name of methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate (CID 67087275) is methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate is COC(=O)c1ccc(C(=O)N(C)c2ccco2)s1.
What is the InChIKey of methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate?
The InChIKey is XQODUUSDYZEHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-13(10-4-3-7-17-10)11(14)8-5-6-9(18-8)12(15)16-2/h3-7H,1-2H3.
What are the key properties of methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate?
methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[furan-2-yl(methyl)carbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 67087275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).