3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide

C18H26N2O4S — CID 2953675

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2,4,6,12,14,16H,3,5,7-11,13H2,1H3,(H,19,21)
InChIKeyRSBJNUVMLBNEHT-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.02
Rot. Bonds5

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2953675) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2953675
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)CC1
InChIInChI=1S/C18H26N2O4S/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2,4,6,12,14,16H,3,5,7-11,13H2,1H3,(H,19,21)
InChIKeyRSBJNUVMLBNEHT-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
CID 72929925
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 100581717
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
N-(2-cyclopentylsulfanylethyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 100750646
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide
CID 143170891
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide (CID 2953675) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide is CC1CCN(S(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RSBJNUVMLBNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-7-9-20(10-8-14)25(22,23)17-6-2-4-15(12-17)18(21)19-13-16-5-3-11-24-16/h2,4,6,12,14,16H,3,5,7-11,13H2,1H3,(H,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2953675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).