N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide

C20H23ClN2O4S — CID 24529866

IUPACN-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O4S/c1-2-28(25,26)23-13-11-15(12-14-23)20(24)22-16-7-9-17(10-8-16)27-19-6-4-3-5-18(19)21/h3-10,15H,2,11-14H2,1H3,(H,22,24)
InChIKeyLYEYGHOAQCIFCW-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.13
Rot. Bonds6

About N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide

N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 24529866) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID24529866
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O4S/c1-2-28(25,26)23-13-11-15(12-14-23)20(24)22-16-7-9-17(10-8-16)27-19-6-4-3-5-18(19)21/h3-10,15H,2,11-14H2,1H3,(H,22,24)
InChIKeyLYEYGHOAQCIFCW-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52578120
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619213
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119516492
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide (CID 24529866) is N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is LYEYGHOAQCIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-2-28(25,26)23-13-11-15(12-14-23)20(24)22-16-7-9-17(10-8-16)27-19-6-4-3-5-18(19)21/h3-10,15H,2,11-14H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide?
N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24529866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).