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

C20H21NO5S — CID 1304159

IUPACmethyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12
InChIInChI=1S/C20H21NO5S/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-15-6-7-17-16(10-15)19(14(4)26-17)20(22)25-5/h6-10,21H,1-5H3
InChIKeyWIQZSUYUQLXWRW-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.25
Rot. Bonds4

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

methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate (PubChem CID 1304159) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
PubChem CID1304159
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Namemethyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12
InChIInChI=1S/C20H21NO5S/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-15-6-7-17-16(10-15)19(14(4)26-17)20(22)25-5/h6-10,21H,1-5H3
InChIKeyWIQZSUYUQLXWRW-UHFFFAOYSA-N
XLogP4.25
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(methoxymethyl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 25035781
methyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 7113484
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
propan-2-yl 5-[(4-fluoro-2-methylphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7312242
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 4089737
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862
2-methoxyethyl 5-[(2,5-dichlorophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 2887999
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)benzenesulfonamide;ethane
CID 159173553

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate (CID 1304159) is methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate is COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12.
What is the InChIKey of methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
The InChIKey is WIQZSUYUQLXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-15-6-7-17-16(10-15)19(14(4)26-17)20(22)25-5/h6-10,21H,1-5H3.
What are the key properties of methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate?
methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 1304159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).