[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

C19H16FNO5S — CID 8608560

IUPAC[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)c2oc3ccc(F)cc3c2C)s1
InChIInChI=1S/C19H16FNO5S/c1-10-14-7-12(20)3-5-16(14)26-18(10)19(24)25-9-15(23)17-6-4-13(27-17)8-21-11(2)22/h3-7H,8-9H2,1-2H3,(H,21,22)
InChIKeyVHMYFUDOLYNFMI-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.62
Rot. Bonds6

About [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8608560) has the molecular formula C19H16FNO5S and a molecular weight of 389.40 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8608560
Molecular FormulaC19H16FNO5S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)c2oc3ccc(F)cc3c2C)s1
InChIInChI=1S/C19H16FNO5S/c1-10-14-7-12(20)3-5-16(14)26-18(10)19(24)25-9-15(23)17-6-4-13(27-17)8-21-11(2)22/h3-7H,8-9H2,1-2H3,(H,21,22)
InChIKeyVHMYFUDOLYNFMI-UHFFFAOYSA-N
XLogP3.62
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-(Acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methoxybenzoate
CID 8431942
Furan-2-carboxylic acid [(thiophen-2-ylmethyl)-carbamoyl]-p-tolyl-methyl ester
CID 652533
N-[[7-fluoro-2-(hydroxycarbamoyl)-1-benzothiophen-6-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118728437
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 6915542
Furan-2-carboxylic acid (4-fluoro-phenyl)-[(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 648857
[2-(Benzylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653268
3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 1247208
Furan-2-carboxylic acid (2-fluoro-phenyl)-[(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 3220316
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-benzofuran-2-carboxamide
CID 16337414
3-fluoro-N-{[5-(furan-2-carbonyl)thiophen-2-yl]methyl}-4-methoxybenzamide
CID 72717681
Ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 8521606
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8890972

Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 8608560) is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is CC(=O)NCc1ccc(C(=O)COC(=O)c2oc3ccc(F)cc3c2C)s1.
What is the InChIKey of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is VHMYFUDOLYNFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S/c1-10-14-7-12(20)3-5-16(14)26-18(10)19(24)25-9-15(23)17-6-4-13(27-17)8-21-11(2)22/h3-7H,8-9H2,1-2H3,(H,21,22).
What are the key properties of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 389.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8608560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).