[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate

C24H21NO6S — CID 16525047

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1ccc(SC)cc1OC)oc1ccccc12
InChIInChI=1S/C24H21NO6S/c1-28-20-10-14(32-3)8-9-16(20)24(27)30-13-23(26)25-18-12-21-17(11-22(18)29-2)15-6-4-5-7-19(15)31-21/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyMELXIAXJGWPMSG-UHFFFAOYSA-N
MW451.50 g/mol
LogP5.12
Rot. Bonds7

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate (PubChem CID 16525047) has the molecular formula C24H21NO6S and a molecular weight of 451.50 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
PubChem CID16525047
Molecular FormulaC24H21NO6S
Molecular Weight451.50 g/mol
Exact Mass451.11
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1ccc(SC)cc1OC)oc1ccccc12
InChIInChI=1S/C24H21NO6S/c1-28-20-10-14(32-3)8-9-16(20)24(27)30-13-23(26)25-18-12-21-17(11-22(18)29-2)15-6-4-5-7-19(15)31-21/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyMELXIAXJGWPMSG-UHFFFAOYSA-N
XLogP5.12
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate 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

N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4170376
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519120
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2437991
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833842
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7774259
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2078838
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579993
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55361814

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate (CID 16525047) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate is COc1cc2c(cc1NC(=O)COC(=O)c1ccc(SC)cc1OC)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate?
The InChIKey is MELXIAXJGWPMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO6S/c1-28-20-10-14(32-3)8-9-16(20)24(27)30-13-23(26)25-18-12-21-17(11-22(18)29-2)15-6-4-5-7-19(15)31-21/h4-12H,13H2,1-3H3,(H,25,26).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate has a molecular weight of 451.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate is sourced from PubChem (CID 16525047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).