2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide

C15H19FN2OS — CID 43304082

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(F)cc1N)C1=CCCC1
InChIInChI=1S/C15H19FN2OS/c1-2-18(12-5-3-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h5,7-9H,2-4,6,10,17H2,1H3
InChIKeyFSJDJXPYMHGQQU-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.42
Rot. Bonds5

About 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide

2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide (PubChem CID 43304082) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
PubChem CID43304082
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(F)cc1N)C1=CCCC1
InChIInChI=1S/C15H19FN2OS/c1-2-18(12-5-3-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h5,7-9H,2-4,6,10,17H2,1H3
InChIKeyFSJDJXPYMHGQQU-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.42
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-(cyclopenten-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide (CID 43304082) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1ccc(F)cc1N)C1=CCCC1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
The InChIKey is FSJDJXPYMHGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-2-18(12-5-3-4-6-12)15(19)10-20-14-8-7-11(16)9-13(14)17/h5,7-9H,2-4,6,10,17H2,1H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide has a molecular weight of 294.39 g/mol, XLogP of 3.42, 5 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-(cyclopenten-1-yl)-N-ethylacetamide is sourced from PubChem (CID 43304082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).