2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide

C14H16FN3O4S — CID 9186882

IUPAC2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1F)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C14H16FN3O4S/c1-8(2)11(13-17-18-14(22-13)23(3,20)21)16-12(19)9-6-4-5-7-10(9)15/h4-8,11H,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyKDSQMJXNLMCOPF-NSHDSACASA-N
MW341.36 g/mol
LogP1.74
Rot. Bonds5

About 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide

2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide (PubChem CID 9186882) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
PubChem CID9186882
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1F)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C14H16FN3O4S/c1-8(2)11(13-17-18-14(22-13)23(3,20)21)16-12(19)9-6-4-5-7-10(9)15/h4-8,11H,1-3H3,(H,16,19)/t11-/m0/s1
InChIKeyKDSQMJXNLMCOPF-NSHDSACASA-N
XLogP1.74
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide
CID 9187666
1-(4-fluorophenyl)-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]methanesulfonamide
CID 9186694
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
CID 9190784
4-fluoro-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187332
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]ethanesulfonamide
CID 9190819
3-chloro-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 9186384

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide (CID 9186882) is 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1F)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide?
The InChIKey is KDSQMJXNLMCOPF-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-8(2)11(13-17-18-14(22-13)23(3,20)21)16-12(19)9-6-4-5-7-10(9)15/h4-8,11H,1-3H3,(H,16,19)/t11-/m0/s1.
What are the key properties of 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide?
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide has a molecular weight of 341.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 9186882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).