ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

C15H17NO4S — CID 896051

IUPACethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1C
InChIInChI=1S/C15H17NO4S/c1-5-19-15(18)12-9(3)10(4)21-14(12)16-13(17)11-7-6-8(2)20-11/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyBMLQBYPIBFWBOL-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.70
Rot. Bonds4

About ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 896051) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID896051
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Nameethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1C
InChIInChI=1S/C15H17NO4S/c1-5-19-15(18)12-9(3)10(4)21-14(12)16-13(17)11-7-6-8(2)20-11/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyBMLQBYPIBFWBOL-UHFFFAOYSA-N
XLogP3.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
CID 880151
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
ethyl 2-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19417005
4-O-ethyl 2-O-methyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1280314
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8719684
ethyl 4,5-dimethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 737612
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
diethyl 3-methyl-5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 2294796
ethyl 4,5-dimethyl-2-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-3-carboxylate
CID 2165807

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate (CID 896051) is ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is BMLQBYPIBFWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-5-19-15(18)12-9(3)10(4)21-14(12)16-13(17)11-7-6-8(2)20-11/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 896051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).