[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate

C23H20N2O7S — CID 16519120

IUPAC[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O)oc1ccccc12
InChIInChI=1S/C23H20N2O7S/c1-30-21-11-16-14-7-4-6-10-19(14)32-20(16)12-18(21)24-22(26)13-31-23(27)15-8-3-5-9-17(15)25-33(2,28)29/h3-12,25H,13H2,1-2H3,(H,24,26)
InChIKeyNFKZZETUYJMWHO-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.76
Rot. Bonds7

About [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate (PubChem CID 16519120) has the molecular formula C23H20N2O7S and a molecular weight of 468.49 g/mol. Its IUPAC name is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
PubChem CID16519120
Molecular FormulaC23H20N2O7S
Molecular Weight468.49 g/mol
Exact Mass468.10
IUPAC Name[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
SMILESCOc1cc2c(cc1NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O)oc1ccccc12
InChIInChI=1S/C23H20N2O7S/c1-30-21-11-16-14-7-4-6-10-19(14)32-20(16)12-18(21)24-22(26)13-31-23(27)15-8-3-5-9-17(15)25-33(2,28)29/h3-12,25H,13H2,1-2H3,(H,24,26)
InChIKeyNFKZZETUYJMWHO-UHFFFAOYSA-N
XLogP3.76
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 25037312
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4170376
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 16525047
[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] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579993
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55361814
1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 71895973

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate (CID 16519120) is [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate is COc1cc2c(cc1NC(=O)COC(=O)c1ccccc1NS(C)(=O)=O)oc1ccccc12.
What is the InChIKey of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate?
The InChIKey is NFKZZETUYJMWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7S/c1-30-21-11-16-14-7-4-6-10-19(14)32-20(16)12-18(21)24-22(26)13-31-23(27)15-8-3-5-9-17(15)25-33(2,28)29/h3-12,25H,13H2,1-2H3,(H,24,26).
What are the key properties of [2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate?
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate has a molecular weight of 468.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 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-(methanesulfonamido)benzoate is sourced from PubChem (CID 16519120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).