1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

C21H26N2O4S — CID 1081768

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-27-19-7-9-20(10-8-19)28(25,26)23-15-12-18(13-16-23)21(24)22-14-11-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,22,24)
InChIKeyKCNXRQPGVRCPCG-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.45
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 1081768) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID1081768
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-27-19-7-9-20(10-8-19)28(25,26)23-15-12-18(13-16-23)21(24)22-14-11-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,22,24)
InChIKeyKCNXRQPGVRCPCG-UHFFFAOYSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)(2-phenylethyl)sulfonamido]acetamide
CID 10570770
N-hydroxy-2-[(4-methoxybenzene)(3-phenylpropyl)sulfonamido]acetamide
CID 10738429
N-hydroxy-2-[(4-methoxybenzene)(4-phenylbutyl)sulfonamido]acetamide
CID 10739270
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
N-[(1s,2r)-1-Benzyl-3-{(Cyclopropylmethyl)[(3-Methoxyphenyl)sulfonyl]amino}-2-Hydroxypropyl]-N'-Methylsuccinamide
CID 15947593
N'-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(2R)-2-hydroxypropyl]-(3-methoxyphenyl)sulfonyl-amino]propyl]-N-methyl-butanediamide
CID 15947685
Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-(2-aminoethyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy-
CID 16074387
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(4-Methoxyphenyl)sulfonyl][(2s)-2-Methylbutyl]amino}propyl]-4-Oxohexanamide
CID 24768535
N~2~-Acetyl-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]-L-Isoleucinamide
CID 56973521
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 1081768) is 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KCNXRQPGVRCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-27-19-7-9-20(10-8-19)28(25,26)23-15-12-18(13-16-23)21(24)22-14-11-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,22,24).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1081768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).