N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

C16H23ClN2O3S — CID 4072850

IUPACN-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-23(21,22)19-11-8-14(9-12-19)16(20)18-10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,18,20)
InChIKeySAKXMOSRQSQGEC-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 4072850) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID4072850
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-2-23(21,22)19-11-8-14(9-12-19)16(20)18-10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,18,20)
InChIKeySAKXMOSRQSQGEC-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513201
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-[(2-chlorophenyl)methylsulfonyl]-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43909904
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 4072850) is N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is SAKXMOSRQSQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-2-23(21,22)19-11-8-14(9-12-19)16(20)18-10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4072850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).