5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C19H26N2O5S — CID 5240838

IUPAC5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1
InChIInChI=1S/C19H26N2O5S/c1-4-21(5-2)27(23,24)15-8-9-17-16(11-15)13(3)18(26-17)19(22)20-12-14-7-6-10-25-14/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,20,22)
InChIKeyOSCCRERSZLDAEI-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.68
Rot. Bonds7

About 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 5240838) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID5240838
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1
InChIInChI=1S/C19H26N2O5S/c1-4-21(5-2)27(23,24)15-8-9-17-16(11-15)13(3)18(26-17)19(22)20-12-14-7-6-10-25-14/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,20,22)
InChIKeyOSCCRERSZLDAEI-UHFFFAOYSA-N
XLogP2.68
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
5-(diethylsulfamoyl)-2-(2-methoxyethylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25349046
N-butyl-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422460
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
5-(dibutylsulfamoyl)-N-(2,3-dimethylcyclohexyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967859
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
N-benzyl-5-(diethylsulfamoyl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 15987906
N,N-diethyl-3-nitro-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 18074528
5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 20967856
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-benzofuran-2-carboxamide
CID 1304313

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 5240838) is 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCC3CCCO3)c(C)c2c1.
What is the InChIKey of 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is OSCCRERSZLDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-4-21(5-2)27(23,24)15-8-9-17-16(11-15)13(3)18(26-17)19(22)20-12-14-7-6-10-25-14/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,20,22).
What are the key properties of 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 5240838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).