2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

C15H21FN2OS — CID 43304077

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(F)cc1N)C1CCCCC1
InChIInChI=1S/C15H21FN2OS/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10,17H2,1H3
InChIKeyVOTAXJNPUHYOER-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (PubChem CID 43304077) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
PubChem CID43304077
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CSc1ccc(F)cc1N)C1CCCCC1
InChIInChI=1S/C15H21FN2OS/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10,17H2,1H3
InChIKeyVOTAXJNPUHYOER-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide (CID 43304077) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is CN(C(=O)CSc1ccc(F)cc1N)C1CCCCC1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
The InChIKey is VOTAXJNPUHYOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10,17H2,1H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide has a molecular weight of 296.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfanyl-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 43304077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).