1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

C22H27ClN2O4S — CID 43908767

IUPAC1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O4S/c1-2-29-21-9-4-3-7-19(21)15-24-22(26)18-10-12-25(13-11-18)30(27,28)16-17-6-5-8-20(23)14-17/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,24,26)
InChIKeyYOGCSYFLDOXQEG-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.60
Rot. Bonds8

About 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 43908767) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID43908767
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O4S/c1-2-29-21-9-4-3-7-19(21)15-24-22(26)18-10-12-25(13-11-18)30(27,28)16-17-6-5-8-20(23)14-17/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,24,26)
InChIKeyYOGCSYFLDOXQEG-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[3-(2-ethoxyphenyl)propyl]piperidine-4-carboxamide
CID 92678007
1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 53283399
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 94016374
1-[(3-chlorophenyl)methylsulfonyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 53283856
N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 92679179
1-[(3-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 92671692
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 99951535
N-(3-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642542
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 92680805
1-[(3-bromophenyl)methylsulfonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284036

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide (CID 43908767) is 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is YOGCSYFLDOXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-2-29-21-9-4-3-7-19(21)15-24-22(26)18-10-12-25(13-11-18)30(27,28)16-17-6-5-8-20(23)14-17/h3-9,14,18H,2,10-13,15-16H2,1H3,(H,24,26).
What are the key properties of 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 450.99 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43908767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).