ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate

C16H13NO4S — CID 8718221

IUPACethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H13NO4S/c1-2-20-16(19)11-7-8-22-15(11)17-14(18)13-9-10-5-3-4-6-12(10)21-13/h3-9H,2H2,1H3,(H,17,18)
InChIKeyRZEHVUWSBWHKLE-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.92
Rot. Bonds4

About ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate

ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 8718221) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
PubChem CID8718221
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Nameethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H13NO4S/c1-2-20-16(19)11-7-8-22-15(11)17-14(18)13-9-10-5-3-4-6-12(10)21-13/h3-9H,2H2,1H3,(H,17,18)
InChIKeyRZEHVUWSBWHKLE-UHFFFAOYSA-N
XLogP3.92
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
ethyl 2-[(2-oxochromene-3-carbonyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 2927308
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
ethyl 5-(1-benzofuran-2-carbonylamino)-2-prop-2-enoxybenzoate
CID 13473060
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
N-(3-carbamoyl-4-methyl-5-propylthiophen-2-yl)-1-benzofuran-2-carboxamide
CID 70985465
ethyl 2-(1-benzofuran-2-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44915970
ethyl 2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 17379742
ethyl 2-[[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carbonyl]amino]thiophene-3-carboxylate
CID 90506303
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate (CID 8718221) is ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is RZEHVUWSBWHKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-2-20-16(19)11-7-8-22-15(11)17-14(18)13-9-10-5-3-4-6-12(10)21-13/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate?
ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 8718221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).