N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

C20H24N2O5S3 — CID 16935217

IUPACN-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O5S3/c1-28-17-5-3-16(4-6-17)21-20(23)15-11-13-22(14-12-15)30(26,27)19-9-7-18(8-10-19)29(2,24)25/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyHCZPJPUHTAHJAX-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.85
Rot. Bonds6

About N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16935217) has the molecular formula C20H24N2O5S3 and a molecular weight of 468.62 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16935217
Molecular FormulaC20H24N2O5S3
Molecular Weight468.62 g/mol
Exact Mass468.08
IUPAC NameN-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O5S3/c1-28-17-5-3-16(4-6-17)21-20(23)15-11-13-22(14-12-15)30(26,27)19-9-7-18(8-10-19)29(2,24)25/h3-10,15H,11-14H2,1-2H3,(H,21,23)
InChIKeyHCZPJPUHTAHJAX-UHFFFAOYSA-N
XLogP2.85
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylsulfanylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 16935132
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-(2,4-dimethylpentan-3-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 9180026
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide (CID 16935217) is N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is CSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HCZPJPUHTAHJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S3/c1-28-17-5-3-16(4-6-17)21-20(23)15-11-13-22(14-12-15)30(26,27)19-9-7-18(8-10-19)29(2,24)25/h3-10,15H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 468.62 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16935217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).