ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate

C18H19NO5S — CID 55755739

IUPACethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1C
InChIInChI=1S/C18H19NO5S/c1-4-23-18(22)16-9(2)8-13(25-16)19-17(21)15-10(3)14-11(20)6-5-7-12(14)24-15/h8H,4-7H2,1-3H3,(H,19,21)
InChIKeyFNTVJKCMYWVUDT-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.91
Rot. Bonds4

About ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 55755739) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID55755739
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Nameethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1C
InChIInChI=1S/C18H19NO5S/c1-4-23-18(22)16-9(2)8-13(25-16)19-17(21)15-10(3)14-11(20)6-5-7-12(14)24-15/h8H,4-7H2,1-3H3,(H,19,21)
InChIKeyFNTVJKCMYWVUDT-UHFFFAOYSA-N
XLogP3.91
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 167942849
ethyl 5-[(5-chlorofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406103
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 43406418
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
3-methyl-4-oxo-N-(1H-pyrazol-4-yl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 60506878
ethyl 3-methyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiophene-2-carboxylate
CID 51146237
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43403910
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
N-(2-acetamidoethyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 47232987

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate (CID 55755739) is ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2oc3c(c2C)C(=O)CCC3)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is FNTVJKCMYWVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-4-23-18(22)16-9(2)8-13(25-16)19-17(21)15-10(3)14-11(20)6-5-7-12(14)24-15/h8H,4-7H2,1-3H3,(H,19,21).
What are the key properties of ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 55755739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).