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

C20H24N2O6S2 — CID 16831919

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C20H24N2O6S2/c1-28-16-7-9-17(10-8-16)30(26,27)22-13-11-15(12-14-22)20(23)21-18-5-3-4-6-19(18)29(2,24)25/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyDILHBFYVEDUSQA-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.14
Rot. Bonds6

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

1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 16831919) has the molecular formula C20H24N2O6S2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID16831919
Molecular FormulaC20H24N2O6S2
Molecular Weight452.55 g/mol
Exact Mass452.11
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C20H24N2O6S2/c1-28-16-7-9-17(10-8-16)30(26,27)22-13-11-15(12-14-22)20(23)21-18-5-3-4-6-19(18)29(2,24)25/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyDILHBFYVEDUSQA-UHFFFAOYSA-N
XLogP2.14
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1075443
N-(2-benzoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657242
N-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075516
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
N-(2-methylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935080
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831825
N-(9,10-dioxoanthracen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831891
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
1-(4-methoxyphenyl)sulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 100654835
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide (CID 16831919) is 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is DILHBFYVEDUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S2/c1-28-16-7-9-17(10-8-16)30(26,27)22-13-11-15(12-14-22)20(23)21-18-5-3-4-6-19(18)29(2,24)25/h3-10,15H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16831919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).