N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide

C25H32Cl2N2O5S — CID 155781888

IUPACN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
SMILESCCS(=O)(=O)N1CCCC(CC(=O)Nc2cc(Cl)c(Oc3ccc(OC)c(C(C)C)c3)c(Cl)c2)C1
InChIInChI=1S/C25H32Cl2N2O5S/c1-5-35(31,32)29-10-6-7-17(15-29)11-24(30)28-18-12-21(26)25(22(27)13-18)34-19-8-9-23(33-4)20(14-19)16(2)3/h8-9,12-14,16-17H,5-7,10-11,15H2,1-4H3,(H,28,30)
InChIKeyLENPOKXMYPARJC-UHFFFAOYSA-N
MW543.51 g/mol
LogP6.31
Rot. Bonds9

About N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide

N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide (PubChem CID 155781888) has the molecular formula C25H32Cl2N2O5S and a molecular weight of 543.51 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
PubChem CID155781888
Molecular FormulaC25H32Cl2N2O5S
Molecular Weight543.51 g/mol
Exact Mass542.14
IUPAC NameN-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
SMILESCCS(=O)(=O)N1CCCC(CC(=O)Nc2cc(Cl)c(Oc3ccc(OC)c(C(C)C)c3)c(Cl)c2)C1
InChIInChI=1S/C25H32Cl2N2O5S/c1-5-35(31,32)29-10-6-7-17(15-29)11-24(30)28-18-12-21(26)25(22(27)13-18)34-19-8-9-23(33-4)20(14-19)16(2)3/h8-9,12-14,16-17H,5-7,10-11,15H2,1-4H3,(H,28,30)
InChIKeyLENPOKXMYPARJC-UHFFFAOYSA-N
XLogP6.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.51
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
CID 165166248
2-(1-cyclopropylsulfonylpiperidin-4-yl)-N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]acetamide
CID 155781904
2,4-dichloro-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 155781681
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 165166285
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfinylpyrazol-4-yl)acetamide
CID 155781809
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-3-methylsulfonylbenzamide
CID 165166271
N-[(2,4-dimethoxyphenyl)methyl]-3-(1-ethylsulfonylpiperidin-3-yl)propanamide
CID 72871700
(2-cyano-2-methylpropyl) N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamate
CID 155781774
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)aniline;N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamoyl chloride;2-methylsulfonylethanol;2-methylsulfonylethyl N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamate
CID 167607980
N-[3,5-dichloro-4-[(6-methoxy-5-propan-2-yl-3-pyridinyl)oxy]phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 155781683

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide (CID 155781888) is N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide is CCS(=O)(=O)N1CCCC(CC(=O)Nc2cc(Cl)c(Oc3ccc(OC)c(C(C)C)c3)c(Cl)c2)C1.
What is the InChIKey of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide?
The InChIKey is LENPOKXMYPARJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O5S/c1-5-35(31,32)29-10-6-7-17(15-29)11-24(30)28-18-12-21(26)25(22(27)13-18)34-19-8-9-23(33-4)20(14-19)16(2)3/h8-9,12-14,16-17H,5-7,10-11,15H2,1-4H3,(H,28,30).
What are the key properties of N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide?
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide has a molecular weight of 543.51 g/mol, XLogP of 6.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide is sourced from PubChem (CID 155781888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).