1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide

C20H21N3O3S2 — CID 9180398

IUPAC1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-27-18-8-6-17(7-9-18)22-20(24)15-10-12-23(13-11-15)28(25,26)19-5-3-2-4-16(19)14-21/h2-9,15H,10-13H2,1H3,(H,22,24)
InChIKeyMVYQUEVUHXLWME-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.32
Rot. Bonds5

About 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 9180398) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID9180398
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
SMILESCSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-27-18-8-6-17(7-9-18)22-20(24)15-10-12-23(13-11-15)28(25,26)19-5-3-2-4-16(19)14-21/h2-9,15H,10-13H2,1H3,(H,22,24)
InChIKeyMVYQUEVUHXLWME-UHFFFAOYSA-N
XLogP3.32
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
1-(4-methylsulfanylphenyl)sulfonyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 16935132
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976
1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935009
N-(4-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935217
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 8868910
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 78816969

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide (CID 9180398) is 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide is CSc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is MVYQUEVUHXLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-27-18-8-6-17(7-9-18)22-20(24)15-10-12-23(13-11-15)28(25,26)19-5-3-2-4-16(19)14-21/h2-9,15H,10-13H2,1H3,(H,22,24).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9180398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).