[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate

C17H17NO6S — CID 55730273

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)oc2ccccc12
InChIInChI=1S/C17H17NO6S/c1-11-13-6-4-5-7-14(13)24-16(11)17(19)22-10-12-8-9-15(23-12)25(20,21)18(2)3/h4-9H,10H2,1-3H3
InChIKeyVKZWCDPLXBUZJE-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.94
Rot. Bonds5

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 55730273) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
PubChem CID55730273
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)oc2ccccc12
InChIInChI=1S/C17H17NO6S/c1-11-13-6-4-5-7-14(13)24-16(11)17(19)22-10-12-8-9-15(23-12)25(20,21)18(2)3/h4-9H,10H2,1-3H3
InChIKeyVKZWCDPLXBUZJE-UHFFFAOYSA-N
XLogP2.94
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
CID 55730810
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 55733885
(2-bromophenyl)methyl 3-methyl-1-benzofuran-2-carboxylate
CID 7239384
[2-(methylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2410420
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55730900
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 27908253
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
CID 55730705
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55730896

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate (CID 55730273) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)oc2ccccc12.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is VKZWCDPLXBUZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c1-11-13-6-4-5-7-14(13)24-16(11)17(19)22-10-12-8-9-15(23-12)25(20,21)18(2)3/h4-9H,10H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 363.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 55730273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).