(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

C23H26FNO7S — CID 24557397

IUPAC(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCCOc1cc2c(cc1COC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)OC(C)C2
InChIInChI=1S/C23H26FNO7S/c1-3-30-21-11-16-10-15(2)32-22(16)12-17(21)14-31-23(26)19-13-18(4-5-20(19)24)33(27,28)25-6-8-29-9-7-25/h4-5,11-13,15H,3,6-10,14H2,1-2H3
InChIKeyUDAAQNPKBNWLDG-UHFFFAOYSA-N
MW479.53 g/mol
LogP2.93
Rot. Bonds7

About (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate

(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 24557397) has the molecular formula C23H26FNO7S and a molecular weight of 479.53 g/mol. Its IUPAC name is (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID24557397
Molecular FormulaC23H26FNO7S
Molecular Weight479.53 g/mol
Exact Mass479.14
IUPAC Name(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
SMILESCCOc1cc2c(cc1COC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)OC(C)C2
InChIInChI=1S/C23H26FNO7S/c1-3-30-21-11-16-10-15(2)32-22(16)12-17(21)14-31-23(26)19-13-18(4-5-20(19)24)33(27,28)25-6-8-29-9-7-25/h4-5,11-13,15H,3,6-10,14H2,1-2H3
InChIKeyUDAAQNPKBNWLDG-UHFFFAOYSA-N
XLogP2.93
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 24557070
(2-cyanophenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2652352
(4-methoxycarbonylphenyl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4263507
[2-(ethylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530482
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26202057
(2-fluorophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2568864
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 42986052
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,5-difluorobenzamide
CID 25478847
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl methanesulfonate
CID 102620688
[2-(carbamoylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 4218282
phenacyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2346722

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate (CID 24557397) is (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is CCOc1cc2c(cc1COC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)OC(C)C2.
What is the InChIKey of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is UDAAQNPKBNWLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO7S/c1-3-30-21-11-16-10-15(2)32-22(16)12-17(21)14-31-23(26)19-13-18(4-5-20(19)24)33(27,28)25-6-8-29-9-7-25/h4-5,11-13,15H,3,6-10,14H2,1-2H3.
What are the key properties of (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate?
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 479.53 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 24557397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).