2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C25H24FN3O3S — CID 20936453

IUPAC2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C25H24FN3O3S/c1-3-21-8-9-22(24-13-18(2)28-32-24)14-25(21)33(30,31)29(17-20-5-4-12-27-15-20)16-19-6-10-23(26)11-7-19/h4-15H,3,16-17H2,1-2H3
InChIKeyJUNFARQLRGJFNX-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.14
Rot. Bonds8

About 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 20936453) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID20936453
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cccnc1
InChIInChI=1S/C25H24FN3O3S/c1-3-21-8-9-22(24-13-18(2)28-32-24)14-25(21)33(30,31)29(17-20-5-4-12-27-15-20)16-19-6-10-23(26)11-7-19/h4-15H,3,16-17H2,1-2H3
InChIKeyJUNFARQLRGJFNX-UHFFFAOYSA-N
XLogP5.14
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 20936453) is 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1cccnc1.
What is the InChIKey of 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is JUNFARQLRGJFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-3-21-8-9-22(24-13-18(2)28-32-24)14-25(21)33(30,31)29(17-20-5-4-12-27-15-20)16-19-6-10-23(26)11-7-19/h4-15H,3,16-17H2,1-2H3.
What are the key properties of 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20936453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).