N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C19H22N2O4S — CID 47026743

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2Cc3ccccc3O2)cc(C)c1C
InChIInChI=1S/C19H22N2O4S/c1-12-8-15(10-18(13(12)2)26(23,24)20-3)19(22)21-11-16-9-14-6-4-5-7-17(14)25-16/h4-8,10,16,20H,9,11H2,1-3H3,(H,21,22)
InChIKeyCHDAGWJUAIXZLM-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.95
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 47026743) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID47026743
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2Cc3ccccc3O2)cc(C)c1C
InChIInChI=1S/C19H22N2O4S/c1-12-8-15(10-18(13(12)2)26(23,24)20-3)19(22)21-11-16-9-14-6-4-5-7-17(14)25-16/h4-8,10,16,20H,9,11H2,1-3H3,(H,21,22)
InChIKeyCHDAGWJUAIXZLM-UHFFFAOYSA-N
XLogP1.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51180585
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55621067
3-(benzylsulfamoyl)-4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 55638298
3-(cyclopentylsulfamoyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 55613156
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 47026743) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC2Cc3ccccc3O2)cc(C)c1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is CHDAGWJUAIXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-8-15(10-18(13(12)2)26(23,24)20-3)19(22)21-11-16-9-14-6-4-5-7-17(14)25-16/h4-8,10,16,20H,9,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 47026743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).