1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C24H24N2O4S — CID 3934601

IUPAC1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C24H24N2O4S/c27-24(25-20-7-3-1-4-8-20)19-15-17-26(18-16-19)31(28,29)23-13-11-22(12-14-23)30-21-9-5-2-6-10-21/h1-14,19H,15-18H2,(H,25,27)
InChIKeyZJLBSFRVYBTKHQ-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.52
Rot. Bonds6

About 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 3934601) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID3934601
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C24H24N2O4S/c27-24(25-20-7-3-1-4-8-20)19-15-17-26(18-16-19)31(28,29)23-13-11-22(12-14-23)30-21-9-5-2-6-10-21/h1-14,19H,15-18H2,(H,25,27)
InChIKeyZJLBSFRVYBTKHQ-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
N-(4-ethoxyphenyl)-3-[4-(4-methoxybenzene-1-sulfonyl)piperazin-1-yl]propanamide
CID 9550798
N-(3-((4-ethoxyphenyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585954
1-(2,4-dimethylbenzenesulfonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17391208
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenoxybutanamide
CID 650732
[4-(2-Methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 1075491
1-(2,5-dimethoxybenzenesulfonyl)-N-phenylpiperidine-4-carboxamide
CID 1091444
N-(3-acetylphenyl)-1-[(4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1209910
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1226821

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 3934601) is 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is ZJLBSFRVYBTKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-24(25-20-7-3-1-4-8-20)19-15-17-26(18-16-19)31(28,29)23-13-11-22(12-14-23)30-21-9-5-2-6-10-21/h1-14,19H,15-18H2,(H,25,27).
What are the key properties of 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 3934601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).