2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide

C18H18F3N3O4S — CID 132668719

IUPAC2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccccc1C(N)=O)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C18H18F3N3O4S/c1-11(17(26)23-15-9-4-3-8-14(15)16(22)25)24(29(2,27)28)13-7-5-6-12(10-13)18(19,20)21/h3-11H,1-2H3,(H2,22,25)(H,23,26)
InChIKeyGGNVRLHZZSFYRK-UHFFFAOYSA-N
MW429.42 g/mol
LogP2.60
Rot. Bonds6

About 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide

2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide (PubChem CID 132668719) has the molecular formula C18H18F3N3O4S and a molecular weight of 429.42 g/mol. Its IUPAC name is 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide.

Molecular Properties

Compound Name2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
PubChem CID132668719
Molecular FormulaC18H18F3N3O4S
Molecular Weight429.42 g/mol
Exact Mass429.10
IUPAC Name2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
SMILESCC(C(=O)Nc1ccccc1C(N)=O)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C18H18F3N3O4S/c1-11(17(26)23-15-9-4-3-8-14(15)16(22)25)24(29(2,27)28)13-7-5-6-12(10-13)18(19,20)21/h3-11H,1-2H3,(H2,22,25)(H,23,26)
InChIKeyGGNVRLHZZSFYRK-UHFFFAOYSA-N
XLogP2.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 132668310
N-(2-methylsulfanylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132669487
N-(2,4-difluorophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132666776
2-[4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanoylamino]benzamide
CID 53286910
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133210830
N-(2-methyl-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132673464
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132672841
2-[[(2R)-2-(4-ethoxy-N-methylsulfonylanilino)propanoyl]amino]benzamide
CID 126029750
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)propanamide
CID 132673780
N-[1-(4-methylsulfonylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 133165717
N-(2-tert-butylsulfanylethyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132667893

Frequently Asked Questions

What is the IUPAC name of 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide?
The IUPAC name of 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide (CID 132668719) is 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide.
What is the SMILES notation for 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide?
The canonical SMILES for 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide is CC(C(=O)Nc1ccccc1C(N)=O)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide?
The InChIKey is GGNVRLHZZSFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4S/c1-11(17(26)23-15-9-4-3-8-14(15)16(22)25)24(29(2,27)28)13-7-5-6-12(10-13)18(19,20)21/h3-11H,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide?
2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide has a molecular weight of 429.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide is sourced from PubChem (CID 132668719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).