N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide

C19H19N3O5S2 — CID 647217

IUPACN-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C19H19N3O5S2/c1-3-29(24,25)22-15-9-7-13(8-10-15)18-20-21-19(27-18)28-12-17(23)14-5-4-6-16(11-14)26-2/h4-11,22H,3,12H2,1-2H3
InChIKeyDIJBSYDYBGOZNS-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.48
Rot. Bonds9

About N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide

N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide (PubChem CID 647217) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide
PubChem CID647217
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC NameN-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1
InChIInChI=1S/C19H19N3O5S2/c1-3-29(24,25)22-15-9-7-13(8-10-15)18-20-21-19(27-18)28-12-17(23)14-5-4-6-16(11-14)26-2/h4-11,22H,3,12H2,1-2H3
InChIKeyDIJBSYDYBGOZNS-UHFFFAOYSA-N
XLogP3.48
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide with MolForge

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Related Compounds

[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid methyl ester
CID 647980
N-(4-{2-[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-2-methoxy-phenyl)-acetamide
CID 653071
4-[5-[2-(3-Methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 162671810
Methyl 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 651381
N-(4-{2-[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-2-methoxy-phenyl)-propionamide
CID 3201476
2-[(3-Methoxyphenyl)methylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 71212418
N-[4-[5-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide
CID 1432741
4-[5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenylamine
CID 834523
2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 375275
N-[4-[5-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]methanesulfonamide
CID 1432921
4-methoxy-N-[4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 16104543
(4-Methoxyphenyl)-methyl-oxo-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]imino-lambda6-sulfane
CID 139473563

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide (CID 647217) is N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1.
What is the InChIKey of N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide?
The InChIKey is DIJBSYDYBGOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-3-29(24,25)22-15-9-7-13(8-10-15)18-20-21-19(27-18)28-12-17(23)14-5-4-6-16(11-14)26-2/h4-11,22H,3,12H2,1-2H3.
What are the key properties of N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide?
N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 647217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).