1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide

C21H25ClN2O4S — CID 28572806

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H25ClN2O4S/c1-2-28-20-5-3-4-19(14-20)23-21(25)17-10-12-24(13-11-17)29(26,27)15-16-6-8-18(22)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,23,25)
InChIKeyYRMLOTXMLSQYMB-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.92
Rot. Bonds7

About 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide

1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 28572806) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID28572806
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H25ClN2O4S/c1-2-28-20-5-3-4-19(14-20)23-21(25)17-10-12-24(13-11-17)29(26,27)15-16-6-8-18(22)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,23,25)
InChIKeyYRMLOTXMLSQYMB-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 28565911
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 92642045
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
1-[(3-bromophenyl)methylsulfonyl]-N-(3-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 28633746
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
1-[(4-chlorophenyl)methylsulfonyl]-N-[3-(2-ethoxyphenyl)propyl]piperidine-4-carboxamide
CID 92678007
ethyl 2-chloro-4-[[1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 28566732
1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 53283399
N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53284068

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide (CID 28572806) is 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide is CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is YRMLOTXMLSQYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-2-28-20-5-3-4-19(14-20)23-21(25)17-10-12-24(13-11-17)29(26,27)15-16-6-8-18(22)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 28572806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).