1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide

C22H27ClN2O5S — CID 133189587

IUPAC1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccccc1OCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27ClN2O5S/c1-16(15-30-21-8-4-3-7-20(21)29-2)24-22(26)17-6-5-13-25(14-17)31(27,28)19-11-9-18(23)10-12-19/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,26)
InChIKeyDBFGOFYGXROGJA-UHFFFAOYSA-N
MW466.99 g/mol
LogP3.33
Rot. Bonds8

About 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide (PubChem CID 133189587) has the molecular formula C22H27ClN2O5S and a molecular weight of 466.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
PubChem CID133189587
Molecular FormulaC22H27ClN2O5S
Molecular Weight466.99 g/mol
Exact Mass466.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCOc1ccccc1OCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H27ClN2O5S/c1-16(15-30-21-8-4-3-7-20(21)29-2)24-22(26)17-6-5-13-25(14-17)31(27,28)19-11-9-18(23)10-12-19/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,26)
InChIKeyDBFGOFYGXROGJA-UHFFFAOYSA-N
XLogP3.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.99
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675979
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 30330612
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657504
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457802
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide
CID 125058828
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine-3-carboxamide
CID 125058830
(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666449
N-[1-(4-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133163361
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457807
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]cyclopentanecarboxamide
CID 95706429

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide (CID 133189587) is 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide is COc1ccccc1OCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is DBFGOFYGXROGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O5S/c1-16(15-30-21-8-4-3-7-20(21)29-2)24-22(26)17-6-5-13-25(14-17)31(27,28)19-11-9-18(23)10-12-19/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 466.99 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 133189587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).