4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide

C20H23F3N2O5S — CID 55524220

IUPAC4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1
InChIInChI=1S/C20H23F3N2O5S/c1-3-11-30-18-9-6-15(20(21,22)23)13-17(18)25-19(26)14-4-7-16(8-5-14)31(27,28)24-10-12-29-2/h4-9,13,24H,3,10-12H2,1-2H3,(H,25,26)
InChIKeyBRESPSOQKDMRRG-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.67
Rot. Bonds10

About 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide

4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 55524220) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID55524220
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1
InChIInChI=1S/C20H23F3N2O5S/c1-3-11-30-18-9-6-15(20(21,22)23)13-17(18)25-19(26)14-4-7-16(8-5-14)31(27,28)24-10-12-29-2/h4-9,13,24H,3,10-12H2,1-2H3,(H,25,26)
InChIKeyBRESPSOQKDMRRG-UHFFFAOYSA-N
XLogP3.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 24584207
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 87047072
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26175468
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26177491
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78778220
2-(4-fluorophenyl)sulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55811519

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide (CID 55524220) is 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BRESPSOQKDMRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c1-3-11-30-18-9-6-15(20(21,22)23)13-17(18)25-19(26)14-4-7-16(8-5-14)31(27,28)24-10-12-29-2/h4-9,13,24H,3,10-12H2,1-2H3,(H,25,26).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide?
4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 460.47 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55524220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).