3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide

C24H31FN4O3S — CID 67239422

IUPAC3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide
SMILESCCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C24H31FN4O3S/c1-3-29(4-2)17-8-18-33(30,31)28-22(16-11-19-9-6-5-7-10-19)24-26-23(27-32-24)20-12-14-21(25)15-13-20/h5-7,9-10,12-15,22,28H,3-4,8,11,16-18H2,1-2H3/t22-/m1/s1
InChIKeyJHLYEDPREHWZKN-JOCHJYFZSA-N
MW474.60 g/mol
LogP4.20
Rot. Bonds13

About 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide

3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide (PubChem CID 67239422) has the molecular formula C24H31FN4O3S and a molecular weight of 474.60 g/mol. Its IUPAC name is 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide
PubChem CID67239422
Molecular FormulaC24H31FN4O3S
Molecular Weight474.60 g/mol
Exact Mass474.21
IUPAC Name3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide
SMILESCCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C24H31FN4O3S/c1-3-29(4-2)17-8-18-33(30,31)28-22(16-11-19-9-6-5-7-10-19)24-26-23(27-32-24)20-12-14-21(25)15-13-20/h5-7,9-10,12-15,22,28H,3-4,8,11,16-18H2,1-2H3/t22-/m1/s1
InChIKeyJHLYEDPREHWZKN-JOCHJYFZSA-N
XLogP4.20
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide 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 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide?
The IUPAC name of 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide (CID 67239422) is 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide?
The canonical SMILES for 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide is CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide?
The InChIKey is JHLYEDPREHWZKN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31FN4O3S/c1-3-29(4-2)17-8-18-33(30,31)28-22(16-11-19-9-6-5-7-10-19)24-26-23(27-32-24)20-12-14-21(25)15-13-20/h5-7,9-10,12-15,22,28H,3-4,8,11,16-18H2,1-2H3/t22-/m1/s1.
What are the key properties of 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide?
3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide has a molecular weight of 474.60 g/mol, XLogP of 4.20, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide is sourced from PubChem (CID 67239422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).