2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide

C19H19N3O5S — CID 9185498

IUPAC2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C19H19N3O5S/c1-26-16-11-7-6-10-14(16)17(23)20-15(12-13-8-4-3-5-9-13)18-21-22-19(27-18)28(2,24)25/h3-11,15H,12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyTVZPTGPOYLMITI-HNNXBMFYSA-N
MW401.44 g/mol
LogP2.20
Rot. Bonds7

About 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide

2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide (PubChem CID 9185498) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
PubChem CID9185498
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
SMILESCOc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C19H19N3O5S/c1-26-16-11-7-6-10-14(16)17(23)20-15(12-13-8-4-3-5-9-13)18-21-22-19(27-18)28(2,24)25/h3-11,15H,12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyTVZPTGPOYLMITI-HNNXBMFYSA-N
XLogP2.20
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185494
N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
CID 9185553
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
CID 9185776
N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 9186004
2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 9185904
2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322168
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
3-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 9185918
4-methoxy-N-[(1S)-3-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]benzamide
CID 9187293
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
The IUPAC name of 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide (CID 9185498) is 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide is COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
The InChIKey is TVZPTGPOYLMITI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-26-16-11-7-6-10-14(16)17(23)20-15(12-13-8-4-3-5-9-13)18-21-22-19(27-18)28(2,24)25/h3-11,15H,12H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 9185498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).