ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate

C18H19NO4S — CID 36667653

IUPACethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C18H19NO4S/c1-3-12-10-13(18(21)22-4-2)17(24-12)19-16(20)15-9-11-7-5-6-8-14(11)23-15/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyLVKGIIRXLKVIEO-OAHLLOKOSA-N
MW345.42 g/mol
LogP3.43
Rot. Bonds5

About ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate (PubChem CID 36667653) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate
PubChem CID36667653
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Nameethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C18H19NO4S/c1-3-12-10-13(18(21)22-4-2)17(24-12)19-16(20)15-9-11-7-5-6-8-14(11)23-15/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyLVKGIIRXLKVIEO-OAHLLOKOSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 75859585
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-5-phenylthiophene-3-carboxylate
CID 2276260
(2R)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95568673
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 18139858
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
CID 63005194
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
(2R,3S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate (CID 36667653) is ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1Cc2ccccc2O1.
What is the InChIKey of ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is LVKGIIRXLKVIEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-3-12-10-13(18(21)22-4-2)17(24-12)19-16(20)15-9-11-7-5-6-8-14(11)23-15/h5-8,10,15H,3-4,9H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 36667653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).