2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

C20H21F4NOS — CID 4299760

IUPAC2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H21F4NOS/c1-12-5-6-13(19(2,3)4)9-17(12)27-11-18(26)25-16-8-7-14(21)10-15(16)20(22,23)24/h5-10H,11H2,1-4H3,(H,25,26)
InChIKeyOTAHHMVWICXBKV-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.18
Rot. Bonds4

About 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide

2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 4299760) has the molecular formula C20H21F4NOS and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID4299760
Molecular FormulaC20H21F4NOS
Molecular Weight399.45 g/mol
Exact Mass399.13
IUPAC Name2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H21F4NOS/c1-12-5-6-13(19(2,3)4)9-17(12)27-11-18(26)25-16-8-7-14(21)10-15(16)20(22,23)24/h5-10H,11H2,1-4H3,(H,25,26)
InChIKeyOTAHHMVWICXBKV-UHFFFAOYSA-N
XLogP6.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 4092566
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4118004
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4201897
2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
2-(5-amino-2-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79130440
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-[chloro(difluoro)methoxy]phenyl]acetamide
CID 4218644
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8590599
N-benzyl-2-(5-tert-butyl-2-methylphenyl)sulfanylacetamide
CID 3610323
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide (CID 4299760) is 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OTAHHMVWICXBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4NOS/c1-12-5-6-13(19(2,3)4)9-17(12)27-11-18(26)25-16-8-7-14(21)10-15(16)20(22,23)24/h5-10H,11H2,1-4H3,(H,25,26).
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide?
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4299760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).