1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

C22H28N2O4S — CID 1263562

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-17-8-9-20(28-2)21(16-17)29(26,27)24-14-11-19(12-15-24)22(25)23-13-10-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3,(H,23,25)
InChIKeyCPWVCZGAJHFHDG-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.76
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 1263562) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID1263562
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O4S/c1-17-8-9-20(28-2)21(16-17)29(26,27)24-14-11-19(12-15-24)22(25)23-13-10-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3,(H,23,25)
InChIKeyCPWVCZGAJHFHDG-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

(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
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-4-carboxamide
CID 164626038
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
MicroRNA modulator-1
CID 5967303
N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 894431
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887
3-{4-[(isopropylamino)sulfonyl]phenyl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 1006951
N-cycloheptyl-1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxamide
CID 1075447
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077690

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 1263562) is 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is CPWVCZGAJHFHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-8-9-20(28-2)21(16-17)29(26,27)24-14-11-19(12-15-24)22(25)23-13-10-18-6-4-3-5-7-18/h3-9,16,19H,10-15H2,1-2H3,(H,23,25).
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-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 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1263562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).