4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C20H23F3N2O5S — CID 24623168

IUPAC4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C20H23F3N2O5S/c1-13(2)25-31(27,28)18-10-15(6-9-17(18)29-3)19(26)24-11-14-4-7-16(8-5-14)30-12-20(21,22)23/h4-10,13,25H,11-12H2,1-3H3,(H,24,26)
InChIKeyVEIRDQBHEBAXAS-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.25
Rot. Bonds9

About 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 24623168) has the molecular formula C20H23F3N2O5S and a molecular weight of 460.47 g/mol. Its IUPAC name is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID24623168
Molecular FormulaC20H23F3N2O5S
Molecular Weight460.47 g/mol
Exact Mass460.13
IUPAC Name4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C20H23F3N2O5S/c1-13(2)25-31(27,28)18-10-15(6-9-17(18)29-3)19(26)24-11-14-4-7-16(8-5-14)30-12-20(21,22)23/h4-10,13,25H,11-12H2,1-3H3,(H,24,26)
InChIKeyVEIRDQBHEBAXAS-UHFFFAOYSA-N
XLogP3.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide with MolForge

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Related Compounds

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4-methoxy-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 46466460
4-methoxy-N-(3-propan-2-yloxypropyl)-3-(propan-2-ylsulfamoyl)benzamide
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CID 46591114
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 24625428
[4-(2-methoxy-2-oxoethyl)phenyl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 16594814
3,5-difluoro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30293255
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
3-acetamido-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 24623168) is 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is VEIRDQBHEBAXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O5S/c1-13(2)25-31(27,28)18-10-15(6-9-17(18)29-3)19(26)24-11-14-4-7-16(8-5-14)30-12-20(21,22)23/h4-10,13,25H,11-12H2,1-3H3,(H,24,26).
What are the key properties of 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 460.47 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propan-2-ylsulfamoyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24623168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).