5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide

C20H24N2O4S — CID 6473066

IUPAC5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C20H24N2O4S/c1-26-19-8-7-17(14-18(19)20(21)23)27(24,25)22-11-9-16(10-12-22)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H2,21,23)
InChIKeyUBABCKRPQAJERV-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.44
Rot. Bonds6

About 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide

5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide (PubChem CID 6473066) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
PubChem CID6473066
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(N)=O
InChIInChI=1S/C20H24N2O4S/c1-26-19-8-7-17(14-18(19)20(21)23)27(24,25)22-11-9-16(10-12-22)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H2,21,23)
InChIKeyUBABCKRPQAJERV-UHFFFAOYSA-N
XLogP2.44
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulpiride
CID 5355
Levosulpiride
CID 688272
Sulmepride
CID 3018598
Cyprosulfamide
CID 11707647
Sulpiride, (R)-
CID 643497
Glisentide
CID 65779
2-Methoxy-5-sulfamoylbenzamide
CID 827160
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
CID 130431447
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155518093
5-(Cyclopentylsulfamoyl)-2-methoxybenzamide
CID 6471249
5-(Cycloheptylsulfamoyl)-2-methoxybenzamide
CID 6471379
N-ethyl-2-methoxy-5-(4-thiomorpholinylsulfonyl)benzamide
CID 6471819

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide (CID 6473066) is 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C(N)=O.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
The InChIKey is UBABCKRPQAJERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-19-8-7-17(14-18(19)20(21)23)27(24,25)22-11-9-16(10-12-22)13-15-5-3-2-4-6-15/h2-8,14,16H,9-13H2,1H3,(H2,21,23).
What are the key properties of 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide?
5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 6473066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).