N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide

C25H25Cl2NO5S — CID 155781859

IUPACN-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)c2Cl)cc1C(C)C
InChIInChI=1S/C25H25Cl2NO5S/c1-15(2)20-13-18(8-12-22(20)32-3)33-24-21(26)11-7-17(23(24)27)14-28-25(29)16-5-9-19(10-6-16)34(4,30)31/h5-13,15H,14H2,1-4H3,(H,28,29)
InChIKeyGUXIPIDTVHPZJU-UHFFFAOYSA-N
MW522.45 g/mol
LogP6.25
Rot. Bonds8

About N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide

N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide (PubChem CID 155781859) has the molecular formula C25H25Cl2NO5S and a molecular weight of 522.45 g/mol. Its IUPAC name is N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
PubChem CID155781859
Molecular FormulaC25H25Cl2NO5S
Molecular Weight522.45 g/mol
Exact Mass521.08
IUPAC NameN-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)c2Cl)cc1C(C)C
InChIInChI=1S/C25H25Cl2NO5S/c1-15(2)20-13-18(8-12-22(20)32-3)33-24-21(26)11-7-17(23(24)27)14-28-25(29)16-5-9-19(10-6-16)34(4,30)31/h5-13,15H,14H2,1-4H3,(H,28,29)
InChIKeyGUXIPIDTVHPZJU-UHFFFAOYSA-N
XLogP6.25
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 155781906
N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 162644895
3,5-dichloro-N-[(4-ethylsulfonylphenyl)methyl]-4-[2-(trifluoromethoxy)phenyl]benzamide
CID 162664857
2-chloro-N-[[4-chloro-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]methyl]-4-methylsulfonyl-benzamide
CID 59451437
N-({4-Chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-4-(methylsulfonyl)benzamide
CID 59451473
N-[(4-chloro-3-methoxyphenyl)methyl]-2-(fluoromethylsulfonyl)benzamide
CID 53661989
2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 155781653
2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[(4-sulfinamoylphenyl)methyl]benzamide
CID 155781680
2,4-dichloro-3-(4-fluoro-3-propan-2-ylphenoxy)-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 155781687
2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 155781710
2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 155781806
2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 155781841

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide (CID 155781859) is N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide is COc1ccc(Oc2c(Cl)ccc(CNC(=O)c3ccc(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]-4-methylsulfonylbenzamide?
The InChIKey is GUXIPIDTVHPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO5S/c1-15(2)20-13-18(8-12-22(20)32-3)33-24-21(26)11-7-17(23(24)27)14-28-25(29)16-5-9-19(10-6-16)34(4,30)31/h5-13,15H,14H2,1-4H3,(H,28,29).
What are the key properties of N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide?
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide has a molecular weight of 522.45 g/mol, XLogP of 6.25, 8 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]-4-methylsulfonylbenzamide is sourced from PubChem (CID 155781859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).