N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide

C16H21N3O4S — CID 91950569

IUPACN-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
SMILESCNS(=O)(=O)c1ccc2oc(C(=O)NC3CCN(C)CC3)cc2c1
InChIInChI=1S/C16H21N3O4S/c1-17-24(21,22)13-3-4-14-11(9-13)10-15(23-14)16(20)18-12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyLQGMCXRXYOVRIL-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.16
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide

N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide (PubChem CID 91950569) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
PubChem CID91950569
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
SMILESCNS(=O)(=O)c1ccc2oc(C(=O)NC3CCN(C)CC3)cc2c1
InChIInChI=1S/C16H21N3O4S/c1-17-24(21,22)13-3-4-14-11(9-13)10-15(23-14)16(20)18-12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20)
InChIKeyLQGMCXRXYOVRIL-UHFFFAOYSA-N
XLogP1.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide (CID 91950569) is N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide is CNS(=O)(=O)c1ccc2oc(C(=O)NC3CCN(C)CC3)cc2c1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
The InChIKey is LQGMCXRXYOVRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-17-24(21,22)13-3-4-14-11(9-13)10-15(23-14)16(20)18-12-5-7-19(2)8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide?
N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91950569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).