N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide

C17H22N2O4S — CID 11631663

IUPACN,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1C
InChIInChI=1S/C17H22N2O4S/c1-11-6-8-19(9-7-11)24(21,22)13-4-5-15-14(10-13)12(2)16(23-15)17(20)18-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)
InChIKeyHEGWGQHYFPDNML-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.52
Rot. Bonds3

About N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide

N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 11631663) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID11631663
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1C
InChIInChI=1S/C17H22N2O4S/c1-11-6-8-19(9-7-11)24(21,22)13-4-5-15-14(10-13)12(2)16(23-15)17(20)18-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)
InChIKeyHEGWGQHYFPDNML-UHFFFAOYSA-N
XLogP2.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 5220536
ethyl 3-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate
CID 120875011
N-(4-fluorophenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 4526754
N-(2,3-dimethylphenyl)-3-methyl-5-piperidin-1-ylsulfonyl-1-benzofuran-2-carboxamide
CID 3530969
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
3-methyl-5-pyrrolidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 3487710
(4-methylpiperazin-1-yl)-(3-methyl-5-pyrrolidin-1-ylsulfonyl-1-benzofuran-2-yl)methanone
CID 5091000
ethyl 5-(3-aminopyrrolidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-carboxylate
CID 120874822
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 4089524
5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-methyl-N-[(2R)-4-phenylbutan-2-yl]-1-benzofuran-2-carboxamide
CID 98460285
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53082466

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide (CID 11631663) is N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide is CNC(=O)c1oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1C.
What is the InChIKey of N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is HEGWGQHYFPDNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11-6-8-19(9-7-11)24(21,22)13-4-5-15-14(10-13)12(2)16(23-15)17(20)18-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,20).
What are the key properties of N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide?
N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11631663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).