dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate

C14H13NO6S — CID 843075

IUPACdimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OC)c1C
InChIInChI=1S/C14H13NO6S/c1-7-9(13(17)19-2)12(22-10(7)14(18)20-3)15-11(16)8-5-4-6-21-8/h4-6H,1-3H3,(H,15,16)
InChIKeyAAEWRKCKLYASPN-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.48
Rot. Bonds4

About dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate (PubChem CID 843075) has the molecular formula C14H13NO6S and a molecular weight of 323.33 g/mol. Its IUPAC name is dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
PubChem CID843075
Molecular FormulaC14H13NO6S
Molecular Weight323.33 g/mol
Exact Mass323.05
IUPAC Namedimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OC)c1C
InChIInChI=1S/C14H13NO6S/c1-7-9(13(17)19-2)12(22-10(7)14(18)20-3)15-11(16)8-5-4-6-21-8/h4-6H,1-3H3,(H,15,16)
InChIKeyAAEWRKCKLYASPN-UHFFFAOYSA-N
XLogP2.48
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 1130436
methyl 2-(furan-2-carbonylamino)-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131163
methyl 5-[(4-ethoxyphenyl)carbamoyl]-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1131605
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1221585
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5158593
ethyl 2-(furan-2-carbonylamino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 3117483
methyl 2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 969300
methyl 2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 52638589
dimethyl 2-(furan-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
CID 2787417
[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9334318
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate (CID 843075) is dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2ccco2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is AAEWRKCKLYASPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6S/c1-7-9(13(17)19-2)12(22-10(7)14(18)20-3)15-11(16)8-5-4-6-21-8/h4-6H,1-3H3,(H,15,16).
What are the key properties of dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 323.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 843075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).