2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide

C18H24FNO3S — CID 110419539

IUPAC2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(NCCCC1CCS(=O)(=O)C1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H24FNO3S/c19-16-7-5-15(6-8-16)17(14-3-4-14)18(21)20-10-1-2-13-9-11-24(22,23)12-13/h5-8,13-14,17H,1-4,9-12H2,(H,20,21)
InChIKeySKVCXCANLGXLMR-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.65
Rot. Bonds7

About 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide

2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110419539) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide
PubChem CID110419539
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC Name2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(NCCCC1CCS(=O)(=O)C1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H24FNO3S/c19-16-7-5-15(6-8-16)17(14-3-4-14)18(21)20-10-1-2-13-9-11-24(22,23)12-13/h5-8,13-14,17H,1-4,9-12H2,(H,20,21)
InChIKeySKVCXCANLGXLMR-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
CID 110419542
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
1-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 61057224
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110355714
N-[3-(1,1-dioxothiolan-3-yl)propyl]pyridine-4-carboxamide
CID 110418925
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110419576

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide (CID 110419539) is 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide is O=C(NCCCC1CCS(=O)(=O)C1)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SKVCXCANLGXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3S/c19-16-7-5-15(6-8-16)17(14-3-4-14)18(21)20-10-1-2-13-9-11-24(22,23)12-13/h5-8,13-14,17H,1-4,9-12H2,(H,20,21).
What are the key properties of 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide?
2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 353.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110419539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).