N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide

C20H24F3N3O3S — CID 132672841

IUPACN-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
SMILESCC(C(=O)NCCN(C)c1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C20H24F3N3O3S/c1-15(19(27)24-12-13-25(2)17-9-5-4-6-10-17)26(30(3,28)29)18-11-7-8-16(14-18)20(21,22)23/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)
InChIKeyNKSJWCLZJJGYPH-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.11
Rot. Bonds8

About N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide

N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 132672841) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID132672841
Molecular FormulaC20H24F3N3O3S
Molecular Weight443.49 g/mol
Exact Mass443.15
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
SMILESCC(C(=O)NCCN(C)c1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C20H24F3N3O3S/c1-15(19(27)24-12-13-25(2)17-9-5-4-6-10-17)26(30(3,28)29)18-11-7-8-16(14-18)20(21,22)23/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)
InChIKeyNKSJWCLZJJGYPH-UHFFFAOYSA-N
XLogP3.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylethyl)propanamide
CID 132664482
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-phenylsulfanylethyl)propanamide
CID 132673780
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 132662116
N-(2-tert-butylsulfanylethyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132667893
N-[2-(N-methylanilino)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 132659087
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165316
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
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 100581894
2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
CID 132668719
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133210830

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide (CID 132672841) is N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide is CC(C(=O)NCCN(C)c1ccccc1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is NKSJWCLZJJGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c1-15(19(27)24-12-13-25(2)17-9-5-4-6-10-17)26(30(3,28)29)18-11-7-8-16(14-18)20(21,22)23/h4-11,14-15H,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide?
N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 443.49 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 132672841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).