N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide

C25H20F3N3O3S2 — CID 153364538

IUPACN-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide
SMILESCN(c1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C25H20F3N3O3S2/c1-31(36(2,33)34)19-11-8-17(9-12-19)22-15-35-24(29-22)30-23(32)18-10-13-20(16-6-4-3-5-7-16)21(14-18)25(26,27)28/h3-15H,1-2H3,(H,29,30,32)
InChIKeyVNIJPFVXVOYYHZ-UHFFFAOYSA-N
MW531.58 g/mol
LogP6.14
Rot. Bonds6

About N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide

N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide (PubChem CID 153364538) has the molecular formula C25H20F3N3O3S2 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide
PubChem CID153364538
Molecular FormulaC25H20F3N3O3S2
Molecular Weight531.58 g/mol
Exact Mass531.09
IUPAC NameN-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide
SMILESCN(c1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C25H20F3N3O3S2/c1-31(36(2,33)34)19-11-8-17(9-12-19)22-15-35-24(29-22)30-23(32)18-10-13-20(16-6-4-3-5-7-16)21(14-18)25(26,27)28/h3-15H,1-2H3,(H,29,30,32)
InChIKeyVNIJPFVXVOYYHZ-UHFFFAOYSA-N
XLogP6.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-oxo-N-(4-phenyl-1,3-thiazol-2-yl)fluorene-2-carboxamide
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4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
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CID 17412659
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
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CID 24563011
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 24586544
1,3-dioxo-2-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)isoindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide (CID 153364538) is N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide is CN(c1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)c(C(F)(F)F)c3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide?
The InChIKey is VNIJPFVXVOYYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O3S2/c1-31(36(2,33)34)19-11-8-17(9-12-19)22-15-35-24(29-22)30-23(32)18-10-13-20(16-6-4-3-5-7-16)21(14-18)25(26,27)28/h3-15H,1-2H3,(H,29,30,32).
What are the key properties of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide?
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide has a molecular weight of 531.58 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-4-phenyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 153364538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).