2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C18H20FNOS — CID 2591845

IUPAC2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1ccccc1F
InChIInChI=1S/C18H20FNOS/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyKBWXTBRJUJKSDU-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.99
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 2591845) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID2591845
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CSc1ccccc1F
InChIInChI=1S/C18H20FNOS/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyKBWXTBRJUJKSDU-UHFFFAOYSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9046159
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 35501492
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7415946
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100719936
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 28633130
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
N-(2-methyl-6-propan-2-ylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412358

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 2591845) is 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is KBWXTBRJUJKSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c1-12(2)14-8-6-7-13(3)18(14)20-17(21)11-22-16-10-5-4-9-15(16)19/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2591845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).