3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

C29H32FN5O4S — CID 11519754

IUPAC3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCCN(c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O
InChIInChI=1S/C29H32FN5O4S/c1-5-35(40(4,37)38)25-16-22(26(36)32-19(2)21-11-13-24(30)14-12-21)15-23(17-25)27-33-34-28(39-27)29(3,31)18-20-9-7-6-8-10-20/h6-17,19H,5,18,31H2,1-4H3,(H,32,36)/t19-,29-/m1/s1
InChIKeyGAJYOHFUMBZKNW-SONOPUAISA-N
MW565.67 g/mol
LogP4.57
Rot. Bonds10

About 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 11519754) has the molecular formula C29H32FN5O4S and a molecular weight of 565.67 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID11519754
Molecular FormulaC29H32FN5O4S
Molecular Weight565.67 g/mol
Exact Mass565.22
IUPAC Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESCCN(c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O
InChIInChI=1S/C29H32FN5O4S/c1-5-35(40(4,37)38)25-16-22(26(36)32-19(2)21-11-13-24(30)14-12-21)15-23(17-25)27-33-34-28(39-27)29(3,31)18-20-9-7-6-8-10-20/h6-17,19H,5,18,31H2,1-4H3,(H,32,36)/t19-,29-/m1/s1
InChIKeyGAJYOHFUMBZKNW-SONOPUAISA-N
XLogP4.57
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 11519754) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is CCN(c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)S(C)(=O)=O.
What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is GAJYOHFUMBZKNW-SONOPUAISA-N. The full InChI is InChI=1S/C29H32FN5O4S/c1-5-35(40(4,37)38)25-16-22(26(36)32-19(2)21-11-13-24(30)14-12-21)15-23(17-25)27-33-34-28(39-27)29(3,31)18-20-9-7-6-8-10-20/h6-17,19H,5,18,31H2,1-4H3,(H,32,36)/t19-,29-/m1/s1.
What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 565.67 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 11519754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).