2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide

C22H19F2NOS — CID 99136888

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H19F2NOS/c1-15-4-2-3-5-20(15)25-21(26)14-27-22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h2-13,22H,14H2,1H3,(H,25,26)
InChIKeyBFYOVISINUHZHJ-UHFFFAOYSA-N
MW383.46 g/mol
LogP5.73
Rot. Bonds6

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide (PubChem CID 99136888) has the molecular formula C22H19F2NOS and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
PubChem CID99136888
Molecular FormulaC22H19F2NOS
Molecular Weight383.46 g/mol
Exact Mass383.12
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H19F2NOS/c1-15-4-2-3-5-20(15)25-21(26)14-27-22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h2-13,22H,14H2,1H3,(H,25,26)
InChIKeyBFYOVISINUHZHJ-UHFFFAOYSA-N
XLogP5.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342666
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 112777242
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18874212
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide (CID 99136888) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
The InChIKey is BFYOVISINUHZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NOS/c1-15-4-2-3-5-20(15)25-21(26)14-27-22(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h2-13,22H,14H2,1H3,(H,25,26).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide?
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide has a molecular weight of 383.46 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 99136888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).