N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

C18H24FNO3S — CID 4142944

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCC1=CCCCC1
InChIInChI=1S/C18H24FNO3S/c19-17-9-5-4-8-16(17)14-24(22,23)13-11-18(21)20-12-10-15-6-2-1-3-7-15/h4-6,8-9H,1-3,7,10-14H2,(H,20,21)
InChIKeyXRIGZYCGNPCLRF-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.14
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (PubChem CID 4142944) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
PubChem CID4142944
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1F)NCCC1=CCCCC1
InChIInChI=1S/C18H24FNO3S/c19-17-9-5-4-8-16(17)14-24(22,23)13-11-18(21)20-12-10-15-6-2-1-3-7-15/h4-6,8-9H,1-3,7,10-14H2,(H,20,21)
InChIKeyXRIGZYCGNPCLRF-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide 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

6-Phenylthiomorpholin-3-one
CID 20242416
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
2-[(4-fluorobenzyl)thio]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3324373
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
2-((Bis(4-fluorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76318212
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
N-[2-(cyclohexylthio)ethyl]-2-phenylacetamide
CID 2175268
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]propanamide
CID 2947047
3-[(4-methylbenzyl)sulfonyl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 3239891
N-cyclopentyl-2-{[(4-fluorophenyl)methyl]sulfanyl}acetamide
CID 3244937

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide (CID 4142944) is N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1F)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
The InChIKey is XRIGZYCGNPCLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3S/c19-17-9-5-4-8-16(17)14-24(22,23)13-11-18(21)20-12-10-15-6-2-1-3-7-15/h4-6,8-9H,1-3,7,10-14H2,(H,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide has a molecular weight of 353.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4142944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).