methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

C21H23NO6S — CID 25035781

IUPACmethyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
SMILESCOCc1oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)OC
InChIInChI=1S/C21H23NO6S/c1-12-8-14(3)19(9-13(12)2)29(24,25)22-15-6-7-17-16(10-15)20(21(23)27-5)18(28-17)11-26-4/h6-10,22H,11H2,1-5H3
InChIKeyLHZPSPFCMFVGJJ-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.09
Rot. Bonds6

About methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate

methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate (PubChem CID 25035781) has the molecular formula C21H23NO6S and a molecular weight of 417.48 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
PubChem CID25035781
Molecular FormulaC21H23NO6S
Molecular Weight417.48 g/mol
Exact Mass417.12
IUPAC Namemethyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
SMILESCOCc1oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)OC
InChIInChI=1S/C21H23NO6S/c1-12-8-14(3)19(9-13(12)2)29(24,25)22-15-6-7-17-16(10-15)20(21(23)27-5)18(28-17)11-26-4/h6-10,22H,11H2,1-5H3
InChIKeyLHZPSPFCMFVGJJ-UHFFFAOYSA-N
XLogP4.09
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate with MolForge

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Related Compounds

methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
methyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 7113484
methyl 2-butyl-5-(methanesulfonamido)-1-benzofuran-3-carboxylate
CID 68747130
methyl 5-[(4-chlorophenyl)sulfanylamino]-2-(methoxymethyl)-1-benzofuran-3-carboxylate
CID 145337116
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
methyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 2938246
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253
2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2887999
ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 4089737
propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7312242
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate (CID 25035781) is methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate is COCc1oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
The InChIKey is LHZPSPFCMFVGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6S/c1-12-8-14(3)19(9-13(12)2)29(24,25)22-15-6-7-17-16(10-15)20(21(23)27-5)18(28-17)11-26-4/h6-10,22H,11H2,1-5H3.
What are the key properties of methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate has a molecular weight of 417.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 25035781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).