ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate

C19H21NO4S — CID 75859585

IUPACethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2Cc3ccccc3O2)sc(C)c1CC
InChIInChI=1S/C19H21NO4S/c1-4-13-11(3)25-18(16(13)19(22)23-5-2)20-17(21)15-10-12-8-6-7-9-14(12)24-15/h6-9,15H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyFURHVODTVXKPJF-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.74
Rot. Bonds5

About ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 75859585) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID75859585
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Nameethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2Cc3ccccc3O2)sc(C)c1CC
InChIInChI=1S/C19H21NO4S/c1-4-13-11(3)25-18(16(13)19(22)23-5-2)20-17(21)15-10-12-8-6-7-9-14(12)24-15/h6-9,15H,4-5,10H2,1-3H3,(H,20,21)
InChIKeyFURHVODTVXKPJF-UHFFFAOYSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate
CID 36667653
ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-carbonylamino)thiophene-3-carboxylate
CID 1008955
(2R)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95568673
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 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40840537
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
ethyl 2-[(2,6-dichlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3442189
ethyl 2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2066146
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089719
(1S,6R)-6-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1292937
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230111

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate (CID 75859585) is ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2Cc3ccccc3O2)sc(C)c1CC.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is FURHVODTVXKPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-4-13-11(3)25-18(16(13)19(22)23-5-2)20-17(21)15-10-12-8-6-7-9-14(12)24-15/h6-9,15H,4-5,10H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 75859585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).