N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C22H28Cl2N4O5S — CID 155781683

IUPACN-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ncc(Oc2c(Cl)cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2Cl)cc1C(C)C
InChIInChI=1S/C22H28Cl2N4O5S/c1-14(2)17-11-16(12-25-22(17)32-3)33-21-18(23)9-15(10-19(21)24)26-20(29)13-27-5-7-28(8-6-27)34(4,30)31/h9-12,14H,5-8,13H2,1-4H3,(H,26,29)
InChIKeyRBMJFOCYVQIXPM-UHFFFAOYSA-N
MW531.46 g/mol
LogP3.83
Rot. Bonds8

About N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 155781683) has the molecular formula C22H28Cl2N4O5S and a molecular weight of 531.46 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID155781683
Molecular FormulaC22H28Cl2N4O5S
Molecular Weight531.46 g/mol
Exact Mass530.12
IUPAC NameN-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ncc(Oc2c(Cl)cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2Cl)cc1C(C)C
InChIInChI=1S/C22H28Cl2N4O5S/c1-14(2)17-11-16(12-25-22(17)32-3)33-21-18(23)9-15(10-19(21)24)26-20(29)13-27-5-7-28(8-6-27)34(4,30)31/h9-12,14H,5-8,13H2,1-4H3,(H,26,29)
InChIKeyRBMJFOCYVQIXPM-UHFFFAOYSA-N
XLogP3.83
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(3,5-dimethoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3243841
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
CID 155781888
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
CID 165166248
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16599033
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 3244475
N-[(4-methoxyphenyl)carbamoyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27202687
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685654
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfinylpyrazol-4-yl)acetamide
CID 155781809
N-(3-aminophenyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 62992900
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1094963

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 155781683) is N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is COc1ncc(Oc2c(Cl)cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)cc2Cl)cc1C(C)C.
What is the InChIKey of N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is RBMJFOCYVQIXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O5S/c1-14(2)17-11-16(12-25-22(17)32-3)33-21-18(23)9-15(10-19(21)24)26-20(29)13-27-5-7-28(8-6-27)34(4,30)31/h9-12,14H,5-8,13H2,1-4H3,(H,26,29).
What are the key properties of N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 531.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 155781683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).