N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C20H21N3O3S — CID 43889711

IUPACN-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C#N)cc3)C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-15-4-10-19(11-5-15)27(25,26)23-12-2-3-17(14-23)20(24)22-18-8-6-16(13-21)7-9-18/h4-11,17H,2-3,12,14H2,1H3,(H,22,24)
InChIKeySYQGLUGAUNIRJN-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.91
Rot. Bonds4

About N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43889711) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43889711
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C#N)cc3)C2)cc1
InChIInChI=1S/C20H21N3O3S/c1-15-4-10-19(11-5-15)27(25,26)23-12-2-3-17(14-23)20(24)22-18-8-6-16(13-21)7-9-18/h4-11,17H,2-3,12,14H2,1H3,(H,22,24)
InChIKeySYQGLUGAUNIRJN-UHFFFAOYSA-N
XLogP2.91
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
(3S)-N-(4-cyclohexylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1455619
(3S)-N-[4-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125072575
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 100525168
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
methyl (3S)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxylate
CID 79031900
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 43889711) is N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C#N)cc3)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is SYQGLUGAUNIRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-4-10-19(11-5-15)27(25,26)23-12-2-3-17(14-23)20(24)22-18-8-6-16(13-21)7-9-18/h4-11,17H,2-3,12,14H2,1H3,(H,22,24).
What are the key properties of N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43889711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).