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

C21H26N2O3S — CID 3151854

IUPACN-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-17-8-10-19(11-9-17)22-21(24)18-5-4-14-23(15-18)27(25,26)20-12-6-16(2)7-13-20/h6-13,18H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyDVGBWSRGHOZYJX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.60
Rot. Bonds5

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

N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 3151854) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID3151854
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-17-8-10-19(11-9-17)22-21(24)18-5-4-14-23(15-18)27(25,26)20-12-6-16(2)7-13-20/h6-13,18H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyDVGBWSRGHOZYJX-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
(3R)-N-[4-[(2S)-butan-2-yl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 7145286
N-(4-butan-2-ylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3197055
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(4-cyanophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43889711

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 3151854) is N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is CCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is DVGBWSRGHOZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-17-8-10-19(11-9-17)22-21(24)18-5-4-14-23(15-18)27(25,26)20-12-6-16(2)7-13-20/h6-13,18H,3-5,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3151854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).