3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide

C22H22FN3O6S — CID 24517079

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide
SMILESCS(=O)(=O)c1ccc(NCCNC(=O)CCc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H22FN3O6S/c1-33(30,31)16-8-9-19(20(14-16)26(28)29)24-12-13-25-22(27)11-7-15-6-10-21(32-15)17-4-2-3-5-18(17)23/h2-6,8-10,14,24H,7,11-13H2,1H3,(H,25,27)
InChIKeyNMXDVMWUCZGMEB-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.56
Rot. Bonds10

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide (PubChem CID 24517079) has the molecular formula C22H22FN3O6S and a molecular weight of 475.50 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide
PubChem CID24517079
Molecular FormulaC22H22FN3O6S
Molecular Weight475.50 g/mol
Exact Mass475.12
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide
SMILESCS(=O)(=O)c1ccc(NCCNC(=O)CCc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H22FN3O6S/c1-33(30,31)16-8-9-19(20(14-16)26(28)29)24-12-13-25-22(27)11-7-15-6-10-21(32-15)17-4-2-3-5-18(17)23/h2-6,8-10,14,24H,7,11-13H2,1H3,(H,25,27)
InChIKeyNMXDVMWUCZGMEB-UHFFFAOYSA-N
XLogP3.56
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)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

N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46547039
2-fluoro-5-(methylsulfamoyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide
CID 55430274
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide
CID 37020807
N-(4-methylsulfonyl-2-nitrophenyl)-N'-naphthalen-1-ylethane-1,2-diamine
CID 7569692
2-(3,5-dimethylphenoxy)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 27336180
N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 27336137
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729
2-bromo-5-fluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide
CID 27336507

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide (CID 24517079) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide is CS(=O)(=O)c1ccc(NCCNC(=O)CCc2ccc(-c3ccccc3F)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide?
The InChIKey is NMXDVMWUCZGMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O6S/c1-33(30,31)16-8-9-19(20(14-16)26(28)29)24-12-13-25-22(27)11-7-15-6-10-21(32-15)17-4-2-3-5-18(17)23/h2-6,8-10,14,24H,7,11-13H2,1H3,(H,25,27).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide has a molecular weight of 475.50 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide is sourced from PubChem (CID 24517079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).