N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide

C15H20FN3O5S2 — CID 9190819

IUPACN-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](c1nnc(S(=O)(=O)Cc2ccccc2F)o1)C(C)C
InChIInChI=1S/C15H20FN3O5S2/c1-4-26(22,23)19-13(10(2)3)14-17-18-15(24-14)25(20,21)9-11-7-5-6-8-12(11)16/h5-8,10,13,19H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyBFWMBBXAFCALTE-ZDUSSCGKSA-N
MW405.47 g/mol
LogP1.82
Rot. Bonds8

About N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide

N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide (PubChem CID 9190819) has the molecular formula C15H20FN3O5S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
PubChem CID9190819
Molecular FormulaC15H20FN3O5S2
Molecular Weight405.47 g/mol
Exact Mass405.08
IUPAC NameN-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](c1nnc(S(=O)(=O)Cc2ccccc2F)o1)C(C)C
InChIInChI=1S/C15H20FN3O5S2/c1-4-26(22,23)19-13(10(2)3)14-17-18-15(24-14)25(20,21)9-11-7-5-6-8-12(11)16/h5-8,10,13,19H,4,9H2,1-3H3/t13-/m0/s1
InChIKeyBFWMBBXAFCALTE-ZDUSSCGKSA-N
XLogP1.82
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide
CID 9190828
1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
CID 9187183
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
1-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]-3-propylurea
CID 9190810
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]furan-2-carboxamide
CID 9190869
1-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-propylurea
CID 9190871
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 9190539
3-chloro-N-[(1S)-1-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]propanamide
CID 9190867
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 9186882
N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
CID 9190784

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide (CID 9190819) is N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide is CCS(=O)(=O)N[C@H](c1nnc(S(=O)(=O)Cc2ccccc2F)o1)C(C)C.
What is the InChIKey of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide?
The InChIKey is BFWMBBXAFCALTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FN3O5S2/c1-4-26(22,23)19-13(10(2)3)14-17-18-15(24-14)25(20,21)9-11-7-5-6-8-12(11)16/h5-8,10,13,19H,4,9H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide?
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide is sourced from PubChem (CID 9190819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).