(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate

C18H15NO5S — CID 140833945

IUPAC(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cccs2)C1=O
InChIInChI=1S/C18H15NO5S/c1-11(20)23-14-15(21)18(2,13-9-6-10-25-13)24-17(14)19-16(22)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,19,22)
InChIKeyTWSSIOPZGOALMW-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.72
Rot. Bonds4

About (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate

(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate (PubChem CID 140833945) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate.

Molecular Properties

Compound Name(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate
PubChem CID140833945
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate
SMILESCC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cccs2)C1=O
InChIInChI=1S/C18H15NO5S/c1-11(20)23-14-15(21)18(2,13-9-6-10-25-13)24-17(14)19-16(22)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,19,22)
InChIKeyTWSSIOPZGOALMW-UHFFFAOYSA-N
XLogP2.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-benzamido-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833950
[2-benzamido-5-(3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834170
[2-benzamido-5-(3-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834057
[3-acetyloxy-5-(2-chloro-6-fluorophenyl)-5-methyl-4-oxofuran-2-yl]carbamic acid
CID 151717686
N-[5-(3,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834390
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833963
N-(3-hydroxy-5-methyl-4-oxo-5-pyridin-3-ylfuran-2-yl)benzamide
CID 140833703
(4-benzamidophenyl) acetate
CID 34734144
[2-(ethoxycarbonylamino)-5-methyl-4-oxo-5-quinolin-3-ylfuran-3-yl] acetate
CID 140833877
N-(3-hydroxy-5-methyl-4-oxo-5-quinolin-4-ylfuran-2-yl)benzamide
CID 140833545
[5-(4-chloro-2-fluorophenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834145
[2-(benzenesulfonamido)-5-(2,4-dimethoxyphenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833781

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate?
The IUPAC name of (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate (CID 140833945) is (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate.
What is the SMILES notation for (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate?
The canonical SMILES for (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate is CC(=O)OC1=C(NC(=O)c2ccccc2)OC(C)(c2cccs2)C1=O.
What is the InChIKey of (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate?
The InChIKey is TWSSIOPZGOALMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c1-11(20)23-14-15(21)18(2,13-9-6-10-25-13)24-17(14)19-16(22)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,19,22).
What are the key properties of (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate?
(2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate has a molecular weight of 357.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-5-methyl-4-oxo-5-thiophen-2-ylfuran-3-yl) acetate is sourced from PubChem (CID 140833945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).