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

C30H34FN5O4S — CID 11685653

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

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide (PubChem CID 11685653) has the molecular formula C30H34FN5O4S and a molecular weight of 579.70 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide.

Molecular Properties

• Compound Name: 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide
• PubChem CID: 11685653
• Molecular Formula: C30H34FN5O4S
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.23
• IUPAC Name: 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide
• SMILES: CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1
• InChI: InChI=1S/C30H34FN5O4S/c1-19(2)41(38,39)36(5)26-16-23(27(37)33-20(3)22-11-13-25(31)14-12-22)15-24(17-26)28-34-35-29(40-28)30(4,32)18-21-9-7-6-8-10-21/h6-17,19-20H,18,32H2,1-5H3,(H,33,37)/t20-,30-/m1/s1
• InChIKey: BIELSJSDPMECSL-PRAQEBQASA-N
• XLogP: 4.96
• TPSA: 131.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide?

The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide (CID 11685653) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide.

What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide?

The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide is CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1.

What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide?

The InChIKey is BIELSJSDPMECSL-PRAQEBQASA-N. The full InChI is InChI=1S/C30H34FN5O4S/c1-19(2)41(38,39)36(5)26-16-23(27(37)33-20(3)22-11-13-25(31)14-12-22)15-24(17-26)28-34-35-29(40-28)30(4,32)18-21-9-7-6-8-10-21/h6-17,19-20H,18,32H2,1-5H3,(H,33,37)/t20-,30-/m1/s1.

What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide?

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide has a molecular weight of 579.70 g/mol, XLogP of 4.96, 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]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(propan-2-ylsulfonyl)amino]benzamide is sourced from PubChem (CID 11685653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).