2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

C22H27ClN2O4S — CID 108560767

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-15-4-6-20(7-5-15)30(27,28)25-10-8-18(9-11-25)24-21(26)14-29-19-12-16(2)22(23)17(3)13-19/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)
InChIKeyOCECQIMBGRTCAT-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 108560767) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID108560767
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-15-4-6-20(7-5-15)30(27,28)25-10-8-18(9-11-25)24-21(26)14-29-19-12-16(2)22(23)17(3)13-19/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26)
InChIKeyOCECQIMBGRTCAT-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide
CID 24614355
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556384
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(2-ethoxyphenoxy)acetamide
CID 108560702
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide (CID 108560767) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is OCECQIMBGRTCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-15-4-6-20(7-5-15)30(27,28)25-10-8-18(9-11-25)24-21(26)14-29-19-12-16(2)22(23)17(3)13-19/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 450.99 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 108560767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).