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

C16H21FN2OS — CID 43304183

IUPAC2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(F)cc1N)C1=CCCCC1
InChIInChI=1S/C16H21FN2OS/c1-2-19(13-6-4-3-5-7-13)16(20)11-21-15-9-8-12(17)10-14(15)18/h6,8-10H,2-5,7,11,18H2,1H3
InChIKeyYDFSFWAINXKQEJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.81
Rot. Bonds5

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

2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide (PubChem CID 43304183) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
PubChem CID43304183
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(F)cc1N)C1=CCCCC1
InChIInChI=1S/C16H21FN2OS/c1-2-19(13-6-4-3-5-7-13)16(20)11-21-15-9-8-12(17)10-14(15)18/h6,8-10H,2-5,7,11,18H2,1H3
InChIKeyYDFSFWAINXKQEJ-UHFFFAOYSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.81
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-(cyclohexen-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide (CID 43304183) is 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide is CCN(C(=O)CSc1ccc(F)cc1N)C1=CCCCC1.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
The InChIKey is YDFSFWAINXKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-2-19(13-6-4-3-5-7-13)16(20)11-21-15-9-8-12(17)10-14(15)18/h6,8-10H,2-5,7,11,18H2,1H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide?
2-(2-amino-4-fluorophenyl)sulfanyl-N-(cyclohexen-1-yl)-N-ethylacetamide has a molecular weight of 308.42 g/mol, XLogP of 3.81, 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-(cyclohexen-1-yl)-N-ethylacetamide is sourced from PubChem (CID 43304183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).