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

C14H19N3O5S2 — CID 9185655

IUPACN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)CC)o1
InChIInChI=1S/C14H19N3O5S2/c1-3-23(18,19)14-16-15-13(22-14)12(17-24(20,21)4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3/t12-/m0/s1
InChIKeyJIEUJXRJOUDCRG-LBPRGKRZSA-N
MW373.46 g/mol
LogP1.09
Rot. Bonds8

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

N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide (PubChem CID 9185655) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
PubChem CID9185655
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC NameN-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1nnc(S(=O)(=O)CC)o1
InChIInChI=1S/C14H19N3O5S2/c1-3-23(18,19)14-16-15-13(22-14)12(17-24(20,21)4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3/t12-/m0/s1
InChIKeyJIEUJXRJOUDCRG-LBPRGKRZSA-N
XLogP1.09
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.09
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]propane-1-sulfonamide
CID 9185661
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225
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
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
tert-butyl N-[1-[5-[(3,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]carbamate
CID 3750209
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
CID 110322245
N-(2-phenyl-1-thiophen-2-ylethyl)ethanesulfonamide
CID 56791791
3-methyl-N-[(1S)-2-phenyl-1-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 9185918

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide (CID 9185655) is N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is JIEUJXRJOUDCRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c1-3-23(18,19)14-16-15-13(22-14)12(17-24(20,21)4-2)10-11-8-6-5-7-9-11/h5-9,12,17H,3-4,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide?
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide has a molecular weight of 373.46 g/mol, XLogP of 1.09, 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]ethanesulfonamide is sourced from PubChem (CID 9185655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).