[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C19H18ClNO5S — CID 8887234

IUPAC[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COC(=O)Cc1coc2cc(O)ccc12
InChIInChI=1S/C19H18ClNO5S/c1-2-21(9-14-4-6-17(20)27-14)18(23)11-26-19(24)7-12-10-25-16-8-13(22)3-5-15(12)16/h3-6,8,10,22H,2,7,9,11H2,1H3
InChIKeyBXUUNMKGBHNCAD-UHFFFAOYSA-N
MW407.88 g/mol
LogP3.99
Rot. Bonds7

About [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 8887234) has the molecular formula C19H18ClNO5S and a molecular weight of 407.88 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID8887234
Molecular FormulaC19H18ClNO5S
Molecular Weight407.88 g/mol
Exact Mass407.06
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COC(=O)Cc1coc2cc(O)ccc12
InChIInChI=1S/C19H18ClNO5S/c1-2-21(9-14-4-6-17(20)27-14)18(23)11-26-19(24)7-12-10-25-16-8-13(22)3-5-15(12)16/h3-6,8,10,22H,2,7,9,11H2,1H3
InChIKeyBXUUNMKGBHNCAD-UHFFFAOYSA-N
XLogP3.99
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887243
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887166
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
ethyl 2-(6-chloro-1-benzofuran-3-yl)acetate
CID 12936152
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612554
[2-oxo-2-(4-propylphenyl)ethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807020
2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 55397253
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414667
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887363
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 4-cyanobenzoate
CID 9201883
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807175

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 8887234) is [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)Cc1coc2cc(O)ccc12.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is BXUUNMKGBHNCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5S/c1-2-21(9-14-4-6-17(20)27-14)18(23)11-26-19(24)7-12-10-25-16-8-13(22)3-5-15(12)16/h3-6,8,10,22H,2,7,9,11H2,1H3.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 407.88 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8887234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).