methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate

C20H16N2O5S — CID 7339253

IUPACmethyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12
InChIInChI=1S/C20H16N2O5S/c1-12-18(20(23)26-2)15-11-14(8-9-16(15)27-12)22-28(24,25)17-7-3-5-13-6-4-10-21-19(13)17/h3-11,22H,1-2H3
InChIKeyLCXUDIMBMARWTN-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.88
Rot. Bonds4

About methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate

methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate (PubChem CID 7339253) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
PubChem CID7339253
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Namemethyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12
InChIInChI=1S/C20H16N2O5S/c1-12-18(20(23)26-2)15-11-14(8-9-16(15)27-12)22-28(24,25)17-7-3-5-13-6-4-10-21-19(13)17/h3-11,22H,1-2H3
InChIKeyLCXUDIMBMARWTN-UHFFFAOYSA-N
XLogP3.88
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-5-[(2,4,5-trimethylphenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 1304159
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
methyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 7113484
methyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
CID 2938246
N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
CID 7934673
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1098492
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,5-dimethylbenzenesulfonamide
CID 1110209
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 1304958
2-methyl-5-[(2-methylphenyl)sulfonylamino]-N-phenyl-1-benzofuran-3-carboxamide
CID 25037862

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate (CID 7339253) is methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate is COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc4cccnc34)cc12.
What is the InChIKey of methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate?
The InChIKey is LCXUDIMBMARWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-12-18(20(23)26-2)15-11-14(8-9-16(15)27-12)22-28(24,25)17-7-3-5-13-6-4-10-21-19(13)17/h3-11,22H,1-2H3.
What are the key properties of methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate?
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate has a molecular weight of 396.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate is sourced from PubChem (CID 7339253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).