N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C22H28N2O4S — CID 2296076

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-3-9-21(10-4-17)29(26,27)24-15-12-19(13-16-24)22(25)23-14-11-18-5-7-20(28-2)8-6-18/h3-10,19H,11-16H2,1-2H3,(H,23,25)
InChIKeyPSSXUSHZJAWXQR-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2296076) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2296076
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17-3-9-21(10-4-17)29(26,27)24-15-12-19(13-16-24)22(25)23-14-11-18-5-7-20(28-2)8-6-18/h3-10,19H,11-16H2,1-2H3,(H,23,25)
InChIKeyPSSXUSHZJAWXQR-UHFFFAOYSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-acetamido-N-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-propan-2-yloxyamino]butanamide
CID 44634267
(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-4-carboxamide
CID 164626038
(3R)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-3-carboxamide
CID 164626858
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 4354484
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
1-((4-fluorophenyl)sulfonyl)-N-(3-((3-methoxybenzyl)amino)-3-oxopropyl)piperidine-4-carboxamide
CID 17585900
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 2296076) is N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PSSXUSHZJAWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-3-9-21(10-4-17)29(26,27)24-15-12-19(13-16-24)22(25)23-14-11-18-5-7-20(28-2)8-6-18/h3-10,19H,11-16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2296076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).