3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

C23H20F3N3O4S — CID 25359012

IUPAC3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C23H20F3N3O4S/c1-14-9-10-19(28-22(31)16-5-3-7-18(11-16)27-15(2)30)13-21(14)34(32,33)29-20-8-4-6-17(12-20)23(24,25)26/h3-13,29H,1-2H3,(H,27,30)(H,28,31)
InChIKeyORLBOROBJFIJDA-UHFFFAOYSA-N
MW491.49 g/mol
LogP5.03
Rot. Bonds6

About 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 25359012) has the molecular formula C23H20F3N3O4S and a molecular weight of 491.49 g/mol. Its IUPAC name is 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID25359012
Molecular FormulaC23H20F3N3O4S
Molecular Weight491.49 g/mol
Exact Mass491.11
IUPAC Name3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C23H20F3N3O4S/c1-14-9-10-19(28-22(31)16-5-3-7-18(11-16)27-15(2)30)13-21(14)34(32,33)29-20-8-4-6-17(12-20)23(24,25)26/h3-13,29H,1-2H3,(H,27,30)(H,28,31)
InChIKeyORLBOROBJFIJDA-UHFFFAOYSA-N
XLogP5.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.49
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]phenyl]acetamide
CID 137483088
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90102064
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169308185
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 25359012) is 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is ORLBOROBJFIJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4S/c1-14-9-10-19(28-22(31)16-5-3-7-18(11-16)27-15(2)30)13-21(14)34(32,33)29-20-8-4-6-17(12-20)23(24,25)26/h3-13,29H,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 491.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 25359012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).