N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C21H24N2O5S — CID 1209910

IUPACN-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(24)17-4-3-5-18(14-17)22-21(25)16-10-12-23(13-11-16)29(26,27)20-8-6-19(28-2)7-9-20/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)
InChIKeyQRLATFQRDTYEBN-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.94
Rot. Bonds6

About N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1209910) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1209910
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(24)17-4-3-5-18(14-17)22-21(25)16-10-12-23(13-11-16)29(26,27)20-8-6-19(28-2)7-9-20/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)
InChIKeyQRLATFQRDTYEBN-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
CaMKII inhibitor BSA-9
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CID 2083341
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
3-[[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168276560
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1209910) is N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QRLATFQRDTYEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15(24)17-4-3-5-18(14-17)22-21(25)16-10-12-23(13-11-16)29(26,27)20-8-6-19(28-2)7-9-20/h3-9,14,16H,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1209910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).