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

C26H25N5O3S — CID 11720080

IUPACN-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(-c2ccccc2C#N)c1)S(C)(=O)=O
InChIInChI=1S/C26H25N5O3S/c1-26(28,16-18-9-5-4-6-10-18)25-30-29-24(34-25)21-13-20(23-12-8-7-11-19(23)17-27)14-22(15-21)31(2)35(3,32)33/h4-15H,16,28H2,1-3H3/t26-/m1/s1
InChIKeyDPOLGGXJDRYOHH-AREMUKBSSA-N
MW487.59 g/mol
LogP4.09
Rot. Bonds7

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

N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 11720080) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide
PubChem CID11720080
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(-c2ccccc2C#N)c1)S(C)(=O)=O
InChIInChI=1S/C26H25N5O3S/c1-26(28,16-18-9-5-4-6-10-18)25-30-29-24(34-25)21-13-20(23-12-8-7-11-19(23)17-27)14-22(15-21)31(2)35(3,32)33/h4-15H,16,28H2,1-3H3/t26-/m1/s1
InChIKeyDPOLGGXJDRYOHH-AREMUKBSSA-N
XLogP4.09
TPSA126.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)-N-methyl-N-prop-2-ynylbenzamide
CID 11540154
3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)-N,N-dipropylbenzamide
CID 70820007
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)-N-[(2R)-pent-3-yn-2-yl]benzamide
CID 58990090
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[methylsulfonyl(propyl)amino]benzoic acid
CID 58990070
N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-propylpyrrolidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
CID 70824230
2-[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(2-ethynylpyrrolidine-1-carbonyl)phenyl]benzonitrile
CID 73024570
2-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 58990104
2-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 11591712
2-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-but-1-ynylpyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 11656644
2-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(2R)-2-[(E)-prop-1-enyl]pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 58990098
2-[3-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-[2-(5-chlorofuran-2-yl)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 70334031
N-[4-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-6-[(2-methylcyclopropyl)methylamino]-2-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
CID 67251927

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-cyanophenyl)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-cyanophenyl)phenyl]-N-methylmethanesulfonamide (CID 11720080) is N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)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-cyanophenyl)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-cyanophenyl)phenyl]-N-methylmethanesulfonamide is CN(c1cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)cc(-c2ccccc2C#N)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is DPOLGGXJDRYOHH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-26(28,16-18-9-5-4-6-10-18)25-30-29-24(34-25)21-13-20(23-12-8-7-11-19(23)17-27)14-22(15-21)31(2)35(3,32)33/h4-15H,16,28H2,1-3H3/t26-/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-cyanophenyl)phenyl]-N-methylmethanesulfonamide?
N-[3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(2-cyanophenyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 487.59 g/mol, XLogP of 4.09, 7 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-cyanophenyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 11720080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).