2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide

C16H20N2O5S — CID 154746564

IUPAC2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)CCCN(S(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C16H20N2O5S/c1-17-14(19)10-16(20)7-3-8-18(11-16)24(21,22)13-5-2-4-12-6-9-23-15(12)13/h2,4-6,9,20H,3,7-8,10-11H2,1H3,(H,17,19)
InChIKeyYIXRIZOFWVCZFW-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide

2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide (PubChem CID 154746564) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide
PubChem CID154746564
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide
SMILESCNC(=O)CC1(O)CCCN(S(=O)(=O)c2cccc3ccoc23)C1
InChIInChI=1S/C16H20N2O5S/c1-17-14(19)10-16(20)7-3-8-18(11-16)24(21,22)13-5-2-4-12-6-9-23-15(12)13/h2,4-6,9,20H,3,7-8,10-11H2,1H3,(H,17,19)
InChIKeyYIXRIZOFWVCZFW-UHFFFAOYSA-N
XLogP1.08
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzofuran-7-ylsulfonyl)-3-fluoro-3-methylpiperidine
CID 128580754
1-(1-benzofuran-7-ylsulfonyl)-N-methylpiperidine-4-sulfonamide
CID 128571218
1-(1-benzofuran-7-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068400
3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol
CID 131943679
3-(3-hydroxy-1-propylsulfonylpiperidin-3-yl)-N-methylpropanamide
CID 132776235
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 107390980
1-(benzenesulfonyl)-3-prop-2-ynylpiperidin-3-ol
CID 71662628
N-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)propanamide
CID 71974641
(3R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95088155
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(hydroxymethyl)piperidin-3-ol
CID 164635553
3-[(4R)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]sulfonyl-N-methylbenzamide
CID 95717717
N,3-dimethyl-1-(2-methylphenyl)sulfonylpyrrolidine-3-carboxamide
CID 106150904

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide (CID 154746564) is 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide is CNC(=O)CC1(O)CCCN(S(=O)(=O)c2cccc3ccoc23)C1.
What is the InChIKey of 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide?
The InChIKey is YIXRIZOFWVCZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-17-14(19)10-16(20)7-3-8-18(11-16)24(21,22)13-5-2-4-12-6-9-23-15(12)13/h2,4-6,9,20H,3,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide?
2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide has a molecular weight of 352.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-7-ylsulfonyl)-3-hydroxypiperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 154746564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).