N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide

C18H16FN3O4S — CID 7254300

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H16FN3O4S/c1-12-2-8-15(9-3-12)27(24,25)11-10-16(23)20-18-22-21-17(26-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyOQEDPQXGBLQMTR-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.99
Rot. Bonds6

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 7254300) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID7254300
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H16FN3O4S/c1-12-2-8-15(9-3-12)27(24,25)11-10-16(23)20-18-22-21-17(26-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyOQEDPQXGBLQMTR-UHFFFAOYSA-N
XLogP2.99
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide 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

4-(N,N-dimethylsulfamoyl)-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 2051050
N-(5-(2-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)-2-phenylacetamide
CID 7295015
2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
4-((3,5-dimethylpiperidin-1-yl)sulfonyl)-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3242189
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3244243
4-{[butyl(methyl)amino]sulfonyl}-N-(5-thien-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3245694
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235627
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235641
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235647
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235703
4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2057778
3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 2104509

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide (CID 7254300) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is OQEDPQXGBLQMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-12-2-8-15(9-3-12)27(24,25)11-10-16(23)20-18-22-21-17(26-18)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 389.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 7254300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).