4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide

C21H25F3N2O3S — CID 133201998

IUPAC4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
SMILESCC(CNC(=O)CCCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C21H25F3N2O3S/c1-16(17-7-4-3-5-8-17)15-25-20(27)9-6-14-26(30(2,28)29)19-12-10-18(11-13-19)21(22,23)24/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,25,27)
InChIKeyFVZNMESHQFZANI-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.17
Rot. Bonds9

About 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide

4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide (PubChem CID 133201998) has the molecular formula C21H25F3N2O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
PubChem CID133201998
Molecular FormulaC21H25F3N2O3S
Molecular Weight442.50 g/mol
Exact Mass442.15
IUPAC Name4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
SMILESCC(CNC(=O)CCCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C21H25F3N2O3S/c1-16(17-7-4-3-5-8-17)15-25-20(27)9-6-14-26(30(2,28)29)19-12-10-18(11-13-19)21(22,23)24/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,25,27)
InChIKeyFVZNMESHQFZANI-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-2-phenylpropyl]butanamide
CID 100500066
4-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
CID 133200487
4-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylpropyl)butanamide
CID 133202056
4-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)butanamide
CID 133218516
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
4-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]butanamide
CID 9172688
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-benzhydryl-4-(N-methylsulfonylanilino)butanamide
CID 9173073
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243

Frequently Asked Questions

What is the IUPAC name of 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide?
The IUPAC name of 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide (CID 133201998) is 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide is CC(CNC(=O)CCCN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide?
The InChIKey is FVZNMESHQFZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O3S/c1-16(17-7-4-3-5-8-17)15-25-20(27)9-6-14-26(30(2,28)29)19-12-10-18(11-13-19)21(22,23)24/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H,25,27).
What are the key properties of 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide?
4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide has a molecular weight of 442.50 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 133201998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).