N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide

C20H21N3O5S — CID 9185776

IUPACN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
SMILESCCS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)c2cccc(OC)c2)o1
InChIInChI=1S/C20H21N3O5S/c1-3-29(25,26)20-23-22-19(28-20)17(12-14-8-5-4-6-9-14)21-18(24)15-10-7-11-16(13-15)27-2/h4-11,13,17H,3,12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyINYSKAWWAKBWTN-KRWDZBQOSA-N
MW415.47 g/mol
LogP2.59
Rot. Bonds8

About N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide

N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide (PubChem CID 9185776) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
PubChem CID9185776
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
SMILESCCS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)c2cccc(OC)c2)o1
InChIInChI=1S/C20H21N3O5S/c1-3-29(25,26)20-23-22-19(28-20)17(12-14-8-5-4-6-9-14)21-18(24)15-10-7-11-16(13-15)27-2/h4-11,13,17H,3,12H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyINYSKAWWAKBWTN-KRWDZBQOSA-N
XLogP2.59
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]benzamide
CID 53159478
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
3,4-dimethyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185494
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 9185661
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 9186004
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
CID 9185553
2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 9185904
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide (CID 9185776) is N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide is CCS(=O)(=O)c1nnc([C@H](Cc2ccccc2)NC(=O)c2cccc(OC)c2)o1.
What is the InChIKey of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide?
The InChIKey is INYSKAWWAKBWTN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-29(25,26)20-23-22-19(28-20)17(12-14-8-5-4-6-9-14)21-18(24)15-10-7-11-16(13-15)27-2/h4-11,13,17H,3,12H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide?
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide has a molecular weight of 415.47 g/mol, XLogP of 2.59, 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-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide is sourced from PubChem (CID 9185776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).