N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide

C23H28N4O4S — CID 11662513

IUPACN-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide
SMILESCC(C)C(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C23H28N4O4S/c1-15(2)20(28)17-11-18(13-19(12-17)27(4)32(5,29)30)21-25-26-22(31-21)23(3,24)14-16-9-7-6-8-10-16/h6-13,15H,14,24H2,1-5H3/t23-/m1/s1
InChIKeyQDDYTSPHESIQJC-HSZRJFAPSA-N
MW456.57 g/mol
LogP3.39
Rot. Bonds8

About N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide

N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 11662513) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide
PubChem CID11662513
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide
SMILESCC(C)C(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C23H28N4O4S/c1-15(2)20(28)17-11-18(13-19(12-17)27(4)32(5,29)30)21-25-26-22(31-21)23(3,24)14-16-9-7-6-8-10-16/h6-13,15H,14,24H2,1-5H3/t23-/m1/s1
InChIKeyQDDYTSPHESIQJC-HSZRJFAPSA-N
XLogP3.39
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide 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 N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide (CID 11662513) is N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide is CC(C)C(=O)c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is QDDYTSPHESIQJC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-15(2)20(28)17-11-18(13-19(12-17)27(4)32(5,29)30)21-25-26-22(31-21)23(3,24)14-16-9-7-6-8-10-16/h6-13,15H,14,24H2,1-5H3/t23-/m1/s1.
What are the key properties of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide?
N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 456.57 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-methylpropanoyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 11662513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).