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

C25H32Cl2N2O5S — CID 165166285

IUPACN-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCOc1ccc(Oc2c(Cl)ccc(CNC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1C(C)C
InChIInChI=1S/C25H32Cl2N2O5S/c1-16(2)20-14-19(6-8-22(20)33-3)34-25-21(26)7-5-18(24(25)27)15-28-23(30)13-17-9-11-29(12-10-17)35(4,31)32/h5-8,14,16-17H,9-13,15H2,1-4H3,(H,28,30)
InChIKeyDZNXFMPWOXERAP-UHFFFAOYSA-N
MW543.51 g/mol
LogP5.60
Rot. Bonds9

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

N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 165166285) has the molecular formula C25H32Cl2N2O5S and a molecular weight of 543.51 g/mol. Its IUPAC name is N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID165166285
Molecular FormulaC25H32Cl2N2O5S
Molecular Weight543.51 g/mol
Exact Mass542.14
IUPAC NameN-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCOc1ccc(Oc2c(Cl)ccc(CNC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1C(C)C
InChIInChI=1S/C25H32Cl2N2O5S/c1-16(2)20-14-19(6-8-22(20)33-3)34-25-21(26)7-5-18(24(25)27)15-28-23(30)13-17-9-11-29(12-10-17)35(4,31)32/h5-8,14,16-17H,9-13,15H2,1-4H3,(H,28,30)
InChIKeyDZNXFMPWOXERAP-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 167634205
2,4-dichloro-N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 155781681
2-(1-cyclopropylsulfonylpiperidin-4-yl)-N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]acetamide
CID 155781904
N-[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 155781880
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-sulfamoylpiperidin-3-yl)acetamide
CID 165166248
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-ethylsulfonylpiperidin-3-yl)acetamide
CID 155781888
2,4-dichloro-N-[(3-hydroxycyclohexyl)methyl]-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 165166152
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(5-bromo-2-methoxyphenyl)methyl]acetamide
CID 46294844
N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294858
[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 155781686
(2S)-2-(2,4-dichlorophenoxy)-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propanamide
CID 97064260
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295159

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 165166285) is N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide is COc1ccc(Oc2c(Cl)ccc(CNC(=O)CC3CCN(S(C)(=O)=O)CC3)c2Cl)cc1C(C)C.
What is the InChIKey of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is DZNXFMPWOXERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O5S/c1-16(2)20-14-19(6-8-22(20)33-3)34-25-21(26)7-5-18(24(25)27)15-28-23(30)13-17-9-11-29(12-10-17)35(4,31)32/h5-8,14,16-17H,9-13,15H2,1-4H3,(H,28,30).
What are the key properties of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide?
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 543.51 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-2-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 165166285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).