N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide

C16H20N2O4S — CID 91950582

IUPACN-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(C(=O)N3CCCCC3C)cc2c1
InChIInChI=1S/C16H20N2O4S/c1-11-5-3-4-8-18(11)16(19)15-10-12-9-13(23(20,21)17-2)6-7-14(12)22-15/h6-7,9-11,17H,3-5,8H2,1-2H3
InChIKeyWQSZGBFOWKBAII-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.36
Rot. Bonds3

About N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide

N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide (PubChem CID 91950582) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide
PubChem CID91950582
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(C(=O)N3CCCCC3C)cc2c1
InChIInChI=1S/C16H20N2O4S/c1-11-5-3-4-8-18(11)16(19)15-10-12-9-13(23(20,21)17-2)6-7-14(12)22-15/h6-7,9-11,17H,3-5,8H2,1-2H3
InChIKeyWQSZGBFOWKBAII-UHFFFAOYSA-N
XLogP2.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-benzofuran-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61101971
N-(1-methylpiperidin-4-yl)-5-(methylsulfamoyl)-1-benzofuran-2-carboxamide
CID 91950569
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
(5-amino-1-benzofuran-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633745
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
ethyl 1-[5-(cyclopropylsulfamoyl)-1-benzofuran-2-carbonyl]piperidine-3-carboxylate
CID 91950561
[(2R)-2-methylpiperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 755150
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 56811977

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide?
The IUPAC name of N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide (CID 91950582) is N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide is CNS(=O)(=O)c1ccc2oc(C(=O)N3CCCCC3C)cc2c1.
What is the InChIKey of N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide?
The InChIKey is WQSZGBFOWKBAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-5-3-4-8-18(11)16(19)15-10-12-9-13(23(20,21)17-2)6-7-14(12)22-15/h6-7,9-11,17H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide?
N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpiperidine-1-carbonyl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 91950582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).