2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

C24H24Cl2N2O5S — CID 155781906

IUPAC2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2Cl)cc1C(C)C
InChIInChI=1S/C24H24Cl2N2O5S/c1-14(2)19-12-16(6-11-21(19)32-3)33-23-20(25)10-9-18(22(23)26)24(29)28-13-15-4-7-17(8-5-15)34(27,30)31/h4-12,14H,13H2,1-3H3,(H,28,29)(H2,27,30,31)
InChIKeyXGRUKCXIJIREAL-UHFFFAOYSA-N
MW523.44 g/mol
LogP5.50
Rot. Bonds8

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

2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 155781906) has the molecular formula C24H24Cl2N2O5S and a molecular weight of 523.44 g/mol. Its IUPAC name is 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID155781906
Molecular FormulaC24H24Cl2N2O5S
Molecular Weight523.44 g/mol
Exact Mass522.08
IUPAC Name2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2Cl)cc1C(C)C
InChIInChI=1S/C24H24Cl2N2O5S/c1-14(2)19-12-16(6-11-21(19)32-3)33-23-20(25)10-9-18(22(23)26)24(29)28-13-15-4-7-17(8-5-15)34(27,30)31/h4-12,14H,13H2,1-3H3,(H,28,29)(H2,27,30,31)
InChIKeyXGRUKCXIJIREAL-UHFFFAOYSA-N
XLogP5.50
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.44
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
CID 155781859
N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
CID 162644895
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
2,4-dichloro-3-[3-fluoro-5-(1-methylcyclopropyl)phenoxy]-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide
CID 155781874
2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[(3-methylsulfonylphenyl)methyl]benzamide
CID 165166157
N-[[2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]methyl]-4-sulfamoylbenzamide
CID 165166158
[2,4-Dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 165166182

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 155781906) is 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is COc1ccc(Oc2c(Cl)ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)c2Cl)cc1C(C)C.
What is the InChIKey of 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is XGRUKCXIJIREAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O5S/c1-14(2)19-12-16(6-11-21(19)32-3)33-23-20(25)10-9-18(22(23)26)24(29)28-13-15-4-7-17(8-5-15)34(27,30)31/h4-12,14H,13H2,1-3H3,(H,28,29)(H2,27,30,31).
What are the key properties of 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 523.44 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 155781906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).