methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C13H14N2O4S — CID 82344409

IUPACmethyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(N)o2)sc(C)c1C
InChIInChI=1S/C13H14N2O4S/c1-6-7(2)20-12(10(6)13(17)18-3)15-11(16)8-4-5-9(14)19-8/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyRQSCEQBCDILJPM-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.58
Rot. Bonds3

About methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 82344409) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID82344409
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namemethyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(N)o2)sc(C)c1C
InChIInChI=1S/C13H14N2O4S/c1-6-7(2)20-12(10(6)13(17)18-3)15-11(16)8-4-5-9(14)19-8/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyRQSCEQBCDILJPM-UHFFFAOYSA-N
XLogP2.58
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 896051
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 16649201
4-O-ethyl 2-O-methyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1280314
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 104742021
methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7287248
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55666471
methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 18876182
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 82344409) is methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccc(N)o2)sc(C)c1C.
What is the InChIKey of methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is RQSCEQBCDILJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-6-7(2)20-12(10(6)13(17)18-3)15-11(16)8-4-5-9(14)19-8/h4-5H,14H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 82344409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).