1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide

C20H24N2O5S — CID 2987117

IUPAC1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C20H24N2O5S/c1-26-16-10-11-18(19(13-16)27-2)21-20(23)15-7-6-12-22(14-15)28(24,25)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,21,23)
InChIKeyKWBUTKJCQIYIJQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.74
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 2987117) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID2987117
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1
InChIInChI=1S/C20H24N2O5S/c1-26-16-10-11-18(19(13-16)27-2)21-20(23)15-7-6-12-22(14-15)28(24,25)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,21,23)
InChIKeyKWBUTKJCQIYIJQ-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
CID 4800134
1-(2,4-Dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 592766
N-{4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl}acetamide
CID 1118248
3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 2901762
N-(2,4-dimethoxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3243018
N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585954
N-{2,4-Dimethoxy-5-[(2-Piperidin-1-Ylbenzyl)sulfamoyl]phenyl}acetamide
CID 56603824
N-[2,4-dimethoxy-5-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 57391458
N-(2,4-Dimethoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 656021
N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893996
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 1000375
2-[Benzenesulfonyl-(2-ethoxy-phenyl)-amino]-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1120550

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide (CID 2987117) is 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is KWBUTKJCQIYIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-16-10-11-18(19(13-16)27-2)21-20(23)15-7-6-12-22(14-15)28(24,25)17-8-4-3-5-9-17/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 2987117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).