3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide

C20H22FNO4S — CID 55706906

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H22FNO4S/c21-17-5-7-18(8-6-17)26-12-11-22-20(23)10-13-27(24,25)19-9-4-15-2-1-3-16(15)14-19/h4-9,14H,1-3,10-13H2,(H,22,23)
InChIKeyXVRGGQBMIAYDBR-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.67
Rot. Bonds8

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide (PubChem CID 55706906) has the molecular formula C20H22FNO4S and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide
PubChem CID55706906
Molecular FormulaC20H22FNO4S
Molecular Weight391.46 g/mol
Exact Mass391.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H22FNO4S/c21-17-5-7-18(8-6-17)26-12-11-22-20(23)10-13-27(24,25)19-9-4-15-2-1-3-16(15)14-19/h4-9,14H,1-3,10-13H2,(H,22,23)
InChIKeyXVRGGQBMIAYDBR-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]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

2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]-N-[2-(4-sulfamoylphenoxy)ethyl]acetamide
CID 145973465
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
2-(4-methoxyphenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 71684857
2-(2-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7603933
2-(3-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9277372
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9365822
N-[2-(2-fluorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9366501
2-(4-fluorophenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 17460933
N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 18113575
N-[3-(2-fluorophenoxy)propyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24552554
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 26960609
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 26994365

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide (CID 55706906) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCCOc1ccc(F)cc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The InChIKey is XVRGGQBMIAYDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4S/c21-17-5-7-18(8-6-17)26-12-11-22-20(23)10-13-27(24,25)19-9-4-15-2-1-3-16(15)14-19/h4-9,14H,1-3,10-13H2,(H,22,23).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide has a molecular weight of 391.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(4-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 55706906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).