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

C19H18FN3O6S — CID 16854218

IUPACN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H18FN3O6S/c1-27-13-5-8-16(28-2)15(11-13)18-22-23-19(29-18)21-17(24)9-10-30(25,26)14-6-3-12(20)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,21,23,24)
InChIKeyCIEMTAJCLHJHRR-UHFFFAOYSA-N
MW435.43 g/mol
LogP2.70
Rot. Bonds8

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

N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 16854218) has the molecular formula C19H18FN3O6S and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID16854218
Molecular FormulaC19H18FN3O6S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC NameN-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCOc1ccc(OC)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H18FN3O6S/c1-27-13-5-8-16(28-2)15(11-13)18-22-23-19(29-18)21-17(24)9-10-30(25,26)14-6-3-12(20)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,21,23,24)
InChIKeyCIEMTAJCLHJHRR-UHFFFAOYSA-N
XLogP2.70
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16854216
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273919
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254358
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43975698
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
3-(4-methoxyphenyl)sulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43972492
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
CID 7254233
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151711

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide (CID 16854218) is N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide is COc1ccc(OC)c(-c2nnc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is CIEMTAJCLHJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O6S/c1-27-13-5-8-16(28-2)15(11-13)18-22-23-19(29-18)21-17(24)9-10-30(25,26)14-6-3-12(20)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide?
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 435.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 16854218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).