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

C15H21N3O5S2 — CID 9185661

IUPACN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)CC)o1
InChIInChI=1S/C15H21N3O5S2/c1-3-10-25(21,22)18-13(11-12-8-6-5-7-9-12)14-16-17-15(23-14)24(19,20)4-2/h5-9,13,18H,3-4,10-11H2,1-2H3/t13-/m0/s1
InChIKeyJHBNFBPTZHIMBO-ZDUSSCGKSA-N
MW387.48 g/mol
LogP1.48
Rot. Bonds9

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

N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide (PubChem CID 9185661) has the molecular formula C15H21N3O5S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
PubChem CID9185661
Molecular FormulaC15H21N3O5S2
Molecular Weight387.48 g/mol
Exact Mass387.09
IUPAC NameN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)CC)o1
InChIInChI=1S/C15H21N3O5S2/c1-3-10-25(21,22)18-13(11-12-8-6-5-7-9-12)14-16-17-15(23-14)24(19,20)4-2/h5-9,13,18H,3-4,10-11H2,1-2H3/t13-/m0/s1
InChIKeyJHBNFBPTZHIMBO-ZDUSSCGKSA-N
XLogP1.48
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-3-methoxybenzamide
CID 9185776
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110322254
2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole
CID 121219782
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
CID 110322245
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238
2-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 9185904
3-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 9185918
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
tert-butyl N-[1-[5-[(3,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
CID 3750209

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide?
The IUPAC name of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide (CID 9185661) is N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide?
The canonical SMILES for N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide is CCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)CC)o1.
What is the InChIKey of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide?
The InChIKey is JHBNFBPTZHIMBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O5S2/c1-3-10-25(21,22)18-13(11-12-8-6-5-7-9-12)14-16-17-15(23-14)24(19,20)4-2/h5-9,13,18H,3-4,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide?
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide has a molecular weight of 387.48 g/mol, XLogP of 1.48, 9 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]propane-1-sulfonamide is sourced from PubChem (CID 9185661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).