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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide
CID 91950582
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506265
N-[5-(dimethylamino)pentan-2-yl]-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
CID 91950591
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
CID 56699203
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 126783424
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
N-(1-benzylpiperidin-4-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 39895915
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
5-fluoro-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 124591641

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).