N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C18H24N2O5S — CID 55665868

IUPACN-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCc1c(C(=O)N2CCCC(CNS(C)(=O)=O)C2)oc2ccccc12
InChIInChI=1S/C18H24N2O5S/c1-24-12-15-14-7-3-4-8-16(14)25-17(15)18(21)20-9-5-6-13(11-20)10-19-26(2,22)23/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3
InChIKeyPLAGTFPMAFQYMP-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.98
Rot. Bonds6

About N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 55665868) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID55665868
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCc1c(C(=O)N2CCCC(CNS(C)(=O)=O)C2)oc2ccccc12
InChIInChI=1S/C18H24N2O5S/c1-24-12-15-14-7-3-4-8-16(14)25-17(15)18(21)20-9-5-6-13(11-20)10-19-26(2,22)23/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3
InChIKeyPLAGTFPMAFQYMP-UHFFFAOYSA-N
XLogP1.98
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 51083128
[(3S)-3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]methanone
CID 124575208
[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid
CID 119238690
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 55601347
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55641422
3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 49215135
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 71927991
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 38067374

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 55665868) is N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is COCc1c(C(=O)N2CCCC(CNS(C)(=O)=O)C2)oc2ccccc12.
What is the InChIKey of N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is PLAGTFPMAFQYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-24-12-15-14-7-3-4-8-16(14)25-17(15)18(21)20-9-5-6-13(11-20)10-19-26(2,22)23/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3.
What are the key properties of N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 55665868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).