2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C20H22Cl2N2O4S — CID 27012752

IUPAC2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4S/c1-14-4-2-3-11-24(14)29(26,27)17-8-6-16(7-9-17)23-20(25)13-28-19-10-5-15(21)12-18(19)22/h5-10,12,14H,2-4,11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyZFGWBPVLKJBYHW-CQSZACIVSA-N
MW457.38 g/mol
LogP4.57
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 27012752) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID27012752
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4S/c1-14-4-2-3-11-24(14)29(26,27)17-8-6-16(7-9-17)23-20(25)13-28-19-10-5-15(21)12-18(19)22/h5-10,12,14H,2-4,11,13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyZFGWBPVLKJBYHW-CQSZACIVSA-N
XLogP4.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(2-chlorophenoxy)-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4090474
2-(2-acetyl-4-chlorophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4783784
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 78863315
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
2-(2,4-dichlorophenoxy)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]acetamide
CID 17321201
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 27012752) is 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is ZFGWBPVLKJBYHW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c1-14-4-2-3-11-24(14)29(26,27)17-8-6-16(7-9-17)23-20(25)13-28-19-10-5-15(21)12-18(19)22/h5-10,12,14H,2-4,11,13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 457.38 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 27012752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).