1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C20H24N2O5S — CID 1091444

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O5S/c1-26-17-8-9-18(27-2)19(14-17)28(24,25)22-12-10-15(11-13-22)20(23)21-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyYXHDBZZJQQVXSA-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.74
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 1091444) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID1091444
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O5S/c1-26-17-8-9-18(27-2)19(14-17)28(24,25)22-12-10-15(11-13-22)20(23)21-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyYXHDBZZJQQVXSA-UHFFFAOYSA-N
XLogP2.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 16422713
N-(2-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585910
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
1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1115767
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (3,4-dimethyl-phenyl)-amide
CID 649165
1-(2,5-Dimethoxy-benzenesulfonyl)-piperidine-4-carboxylic acid (2,5-dimethyl-phenyl)-amide
CID 1091421
1-[(2,5-dimethoxyphenyl)sulfonyl]-N-(2-methoxybenzyl)-4-piperidinecarboxamide
CID 1093362
2-(4-methoxyphenoxy)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 1118216
N~2~-[(2-methoxy-5-methylphenyl)sulfonyl]-N~2~-methyl-N~1~-phenylglycinamide
CID 1248521
1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(2-ethylphenyl)piperazine
CID 1298178

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 1091444) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is YXHDBZZJQQVXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-17-8-9-18(27-2)19(14-17)28(24,25)22-12-10-15(11-13-22)20(23)21-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,21,23).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 1091444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).