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

C18H24FN3O4S — CID 9190828

IUPACN-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide
SMILESCCCCC(=O)N[C@H](c1nnc(S(=O)(=O)Cc2ccccc2F)o1)C(C)C
InChIInChI=1S/C18H24FN3O4S/c1-4-5-10-15(23)20-16(12(2)3)17-21-22-18(26-17)27(24,25)11-13-8-6-7-9-14(13)19/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyKLAJCJLERRXEGY-INIZCTEOSA-N
MW397.47 g/mol
LogP3.19
Rot. Bonds9

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

N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide (PubChem CID 9190828) has the molecular formula C18H24FN3O4S and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide
PubChem CID9190828
Molecular FormulaC18H24FN3O4S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC NameN-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide
SMILESCCCCC(=O)N[C@H](c1nnc(S(=O)(=O)Cc2ccccc2F)o1)C(C)C
InChIInChI=1S/C18H24FN3O4S/c1-4-5-10-15(23)20-16(12(2)3)17-21-22-18(26-17)27(24,25)11-13-8-6-7-9-14(13)19/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyKLAJCJLERRXEGY-INIZCTEOSA-N
XLogP3.19
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
CID 9190819
1-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]-3-propylurea
CID 9190810
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 9186882
1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one
CID 11937644
tert-butyl N-[(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
CID 2004830
1-(2-fluorophenyl)-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]methanesulfonamide
CID 9187183
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[1-(2,3-difluorophenyl)ethyl]pentanamide
CID 141128931
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide?
The IUPAC name of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide (CID 9190828) is N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide.
What is the SMILES notation for N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide?
The canonical SMILES for N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is KLAJCJLERRXEGY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3O4S/c1-4-5-10-15(23)20-16(12(2)3)17-21-22-18(26-17)27(24,25)11-13-8-6-7-9-14(13)19/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide?
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide has a molecular weight of 397.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 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]pentanamide is sourced from PubChem (CID 9190828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).