2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide

C19H21FN2O2S — CID 9439215

IUPAC2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1
InChIInChI=1S/C19H21FN2O2S/c1-13-7-8-17(14(2)9-13)25-12-19(24)22(3)11-18(23)21-16-6-4-5-15(20)10-16/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyMLOQRFREKQKTRV-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.63
Rot. Bonds6

About 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide

2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 9439215) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID9439215
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1
InChIInChI=1S/C19H21FN2O2S/c1-13-7-8-17(14(2)9-13)25-12-19(24)22(3)11-18(23)21-16-6-4-5-15(20)10-16/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyMLOQRFREKQKTRV-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide (CID 9439215) is 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide is Cc1ccc(SCC(=O)N(C)CC(=O)Nc2cccc(F)c2)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is MLOQRFREKQKTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13-7-8-17(14(2)9-13)25-12-19(24)22(3)11-18(23)21-16-6-4-5-15(20)10-16/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 360.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9439215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).