N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide

C19H26N2O4S — CID 43073286

IUPACN-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccc2c(CC(=O)N3CCCCC3CNS(C)(=O)=O)coc2c1C
InChIInChI=1S/C19H26N2O4S/c1-13-7-8-17-15(12-25-19(17)14(13)2)10-18(22)21-9-5-4-6-16(21)11-20-26(3,23)24/h7-8,12,16,20H,4-6,9-11H2,1-3H3
InChIKeyIIPTYSXCYLBFRW-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.52
Rot. Bonds5

About N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide

N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide (PubChem CID 43073286) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
PubChem CID43073286
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
SMILESCc1ccc2c(CC(=O)N3CCCCC3CNS(C)(=O)=O)coc2c1C
InChIInChI=1S/C19H26N2O4S/c1-13-7-8-17-15(12-25-19(17)14(13)2)10-18(22)21-9-5-4-6-16(21)11-20-26(3,23)24/h7-8,12,16,20H,4-6,9-11H2,1-3H3
InChIKeyIIPTYSXCYLBFRW-UHFFFAOYSA-N
XLogP2.52
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184
N-[[(2R)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 31998085
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
[(1R)-2-oxocyclohexyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617869
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023
2-(6-methyl-1-benzofuran-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504317
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 40775798
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 23804650
N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073250
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 124611754

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide (CID 43073286) is N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide is Cc1ccc2c(CC(=O)N3CCCCC3CNS(C)(=O)=O)coc2c1C.
What is the InChIKey of N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
The InChIKey is IIPTYSXCYLBFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-13-7-8-17-15(12-25-19(17)14(13)2)10-18(22)21-9-5-4-6-16(21)11-20-26(3,23)24/h7-8,12,16,20H,4-6,9-11H2,1-3H3.
What are the key properties of N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide?
N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperidin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 43073286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).