dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate

C22H18N2O6S — CID 56579787

IUPACdibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Oc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C22H18N2O6S/c1-13(25)23-14-7-9-19(24-31(2,27)28)18(11-14)22(26)29-15-8-10-21-17(12-15)16-5-3-4-6-20(16)30-21/h3-12,24H,1-2H3,(H,23,25)
InChIKeyIGLYKPOJTXRVAW-UHFFFAOYSA-N
MW438.46 g/mol
LogP4.14
Rot. Bonds5

About dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate

dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate (PubChem CID 56579787) has the molecular formula C22H18N2O6S and a molecular weight of 438.46 g/mol. Its IUPAC name is dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Namedibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate
PubChem CID56579787
Molecular FormulaC22H18N2O6S
Molecular Weight438.46 g/mol
Exact Mass438.09
IUPAC Namedibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Oc2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C22H18N2O6S/c1-13(25)23-14-7-9-19(24-31(2,27)28)18(11-14)22(26)29-15-8-10-21-17(12-15)16-5-3-4-6-20(16)30-21/h3-12,24H,1-2H3,(H,23,25)
InChIKeyIGLYKPOJTXRVAW-UHFFFAOYSA-N
XLogP4.14
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(thiophene-2-carbonylamino)phenyl] 5-acetamido-2-(methanesulfonamido)benzoate
CID 56514934
dibenzofuran-2-yl N-(3,4-dimethoxyphenyl)carbamate
CID 5147603
2-dibenzofuran-2-yloxy-N-(4-methylsulfonylphenyl)acetamide
CID 9455805
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
dibenzofuran-2-yl 3,5-dimethoxybenzoate
CID 4314506
N-(9-oxoxanthen-2-yl)acetamide
CID 72793124
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
(2S)-N-(4-acetylphenyl)-2-dibenzofuran-2-yloxypropanamide
CID 30545915
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
dibenzofuran-2-yl 3,4-dimethoxybenzoate
CID 4003499
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519120
N-dibenzofuran-2-yl-4-methylsulfonylbenzamide
CID 18081219

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate?
The IUPAC name of dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate (CID 56579787) is dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate.
What is the SMILES notation for dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate?
The canonical SMILES for dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Oc2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate?
The InChIKey is IGLYKPOJTXRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6S/c1-13(25)23-14-7-9-19(24-31(2,27)28)18(11-14)22(26)29-15-8-10-21-17(12-15)16-5-3-4-6-20(16)30-21/h3-12,24H,1-2H3,(H,23,25).
What are the key properties of dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate?
dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate has a molecular weight of 438.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 5-acetamido-2-(methanesulfonamido)benzoate is sourced from PubChem (CID 56579787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).