2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide

C17H26N2O5S — CID 46464711

IUPAC2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cccc(OC)c2OC)CC1
InChIInChI=1S/C17H26N2O5S/c1-4-12-25(21,22)19-10-8-13(9-11-19)18-17(20)14-6-5-7-15(23-2)16(14)24-3/h5-7,13H,4,8-12H2,1-3H3,(H,18,20)
InChIKeyQTJDGHVYQWXOOE-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.64
Rot. Bonds7

About 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide

2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide (PubChem CID 46464711) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
PubChem CID46464711
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cccc(OC)c2OC)CC1
InChIInChI=1S/C17H26N2O5S/c1-4-12-25(21,22)19-10-8-13(9-11-19)18-17(20)14-6-5-7-15(23-2)16(14)24-3/h5-7,13H,4,8-12H2,1-3H3,(H,18,20)
InChIKeyQTJDGHVYQWXOOE-UHFFFAOYSA-N
XLogP1.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2-(difluoromethoxy)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 86907097
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438465
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide (CID 46464711) is 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cccc(OC)c2OC)CC1.
What is the InChIKey of 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is QTJDGHVYQWXOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-4-12-25(21,22)19-10-8-13(9-11-19)18-17(20)14-6-5-7-15(23-2)16(14)24-3/h5-7,13H,4,8-12H2,1-3H3,(H,18,20).
What are the key properties of 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide?
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 370.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 46464711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).