4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C19H20F3NO2S — CID 46233991

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C19H20F3NO2S/c1-23(13-14-4-6-15(7-5-14)19(20,21)22)18(25)3-2-12-26-17-10-8-16(24)9-11-17/h4-11,24H,2-3,12-13H2,1H3
InChIKeyZRVGAHDICZBGQG-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.94
Rot. Bonds7

About 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 46233991) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID46233991
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C19H20F3NO2S/c1-23(13-14-4-6-15(7-5-14)19(20,21)22)18(25)3-2-12-26-17-10-8-16(24)9-11-17/h4-11,24H,2-3,12-13H2,1H3
InChIKeyZRVGAHDICZBGQG-UHFFFAOYSA-N
XLogP4.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 46233991) is 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCSc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is ZRVGAHDICZBGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c1-23(13-14-4-6-15(7-5-14)19(20,21)22)18(25)3-2-12-26-17-10-8-16(24)9-11-17/h4-11,24H,2-3,12-13H2,1H3.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 383.44 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 46233991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).