N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C25H26F3N3O5S — CID 6616643

IUPACN-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCOCCNC(=O)c1ccc(NCc2ccccc2OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H26F3N3O5S/c1-35-13-12-29-24(32)17-10-11-21(30-16-18-6-3-4-9-22(18)36-2)23(14-17)37(33,34)31-20-8-5-7-19(15-20)25(26,27)28/h3-11,14-15,30-31H,12-13,16H2,1-2H3,(H,29,32)
InChIKeyHNKOKLSEHFJGKA-UHFFFAOYSA-N
MW537.56 g/mol
LogP4.50
Rot. Bonds11

About N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 6616643) has the molecular formula C25H26F3N3O5S and a molecular weight of 537.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID6616643
Molecular FormulaC25H26F3N3O5S
Molecular Weight537.56 g/mol
Exact Mass537.15
IUPAC NameN-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCOCCNC(=O)c1ccc(NCc2ccccc2OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H26F3N3O5S/c1-35-13-12-29-24(32)17-10-11-21(30-16-18-6-3-4-9-22(18)36-2)23(14-17)37(33,34)31-20-8-5-7-19(15-20)25(26,27)28/h3-11,14-15,30-31H,12-13,16H2,1-2H3,(H,29,32)
InChIKeyHNKOKLSEHFJGKA-UHFFFAOYSA-N
XLogP4.50
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.56
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
(2-fluorophenyl)methyl 4-[2-(4-chlorophenyl)ethylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 46371095
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
4-methoxy-N-(2-methoxyethyl)-3-(pyridin-3-ylsulfamoyl)benzamide
CID 56684218
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684183

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 6616643) is N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is COCCNC(=O)c1ccc(NCc2ccccc2OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is HNKOKLSEHFJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O5S/c1-35-13-12-29-24(32)17-10-11-21(30-16-18-6-3-4-9-22(18)36-2)23(14-17)37(33,34)31-20-8-5-7-19(15-20)25(26,27)28/h3-11,14-15,30-31H,12-13,16H2,1-2H3,(H,29,32).
What are the key properties of N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 537.56 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(2-methoxyphenyl)methylamino]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 6616643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).