N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide

C23H19F3N2O4S — CID 46542208

IUPACN-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C23H19F3N2O4S/c1-14-11-18(27-21(29)15-5-3-7-17(12-15)23(24,25)26)9-10-20(14)28-22(30)16-6-4-8-19(13-16)33(2,31)32/h3-13H,1-2H3,(H,27,29)(H,28,30)
InChIKeyIMWYSCPTHZUQHL-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.92
Rot. Bonds5

About N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide

N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46542208) has the molecular formula C23H19F3N2O4S and a molecular weight of 476.48 g/mol. Its IUPAC name is N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46542208
Molecular FormulaC23H19F3N2O4S
Molecular Weight476.48 g/mol
Exact Mass476.10
IUPAC NameN-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C23H19F3N2O4S/c1-14-11-18(27-21(29)15-5-3-7-17(12-15)23(24,25)26)9-10-20(14)28-22(30)16-6-4-8-19(13-16)33(2,31)32/h3-13H,1-2H3,(H,27,29)(H,28,30)
InChIKeyIMWYSCPTHZUQHL-UHFFFAOYSA-N
XLogP4.92
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-bromobenzoyl)amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 46542213
N-[4-[[(2E,4E)-hexa-2,4-dienoyl]amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 35345299
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
tert-butyl N-[2-[(3-methylsulfonylbenzoyl)amino]-4-(trifluoromethyl)phenyl]carbamate
CID 55970365
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
4-(methylamino)-2-methylsulfonyl-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrimidine-5-carboxamide
CID 122633671
N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155550237
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
N-[4-(ethylsulfonylamino)-3-fluorophenyl]-3-(trifluoromethyl)benzamide
CID 155545113
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide (CID 46542208) is N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IMWYSCPTHZUQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4S/c1-14-11-18(27-21(29)15-5-3-7-17(12-15)23(24,25)26)9-10-20(14)28-22(30)16-6-4-8-19(13-16)33(2,31)32/h3-13H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 476.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46542208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).