N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide

C21H22N4O6S2 — CID 653071

IUPACN-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1
InChIInChI=1S/C21H22N4O6S2/c1-4-33(28,29)25-16-8-5-14(6-9-16)20-23-24-21(31-20)32-12-18(27)15-7-10-17(22-13(2)26)19(11-15)30-3/h5-11,25H,4,12H2,1-3H3,(H,22,26)
InChIKeyVASLLVMPZIFSHV-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.44
Rot. Bonds10

About N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide

N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide (PubChem CID 653071) has the molecular formula C21H22N4O6S2 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide
PubChem CID653071
Molecular FormulaC21H22N4O6S2
Molecular Weight490.56 g/mol
Exact Mass490.10
IUPAC NameN-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1
InChIInChI=1S/C21H22N4O6S2/c1-4-33(28,29)25-16-8-5-14(6-9-16)20-23-24-21(31-20)32-12-18(27)15-7-10-17(22-13(2)26)19(11-15)30-3/h5-11,25H,4,12H2,1-3H3,(H,22,26)
InChIKeyVASLLVMPZIFSHV-UHFFFAOYSA-N
XLogP3.44
TPSA140.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

Ethanesulfonic acid (4-{5-[2-(3-methoxy-phenyl)-2-oxo-ethylsulfanyl]-[1,3,4]oxadiazol-2-yl}-phenyl)-amide
CID 647217
N-(2-Methoxy-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656273
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 779642
N-(2-methoxyphenyl)-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2188733
N-(3-methoxyphenyl)-2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 3366714
2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-phenylacetamide
CID 3407446
N-(2-methoxyphenyl)-2-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 7418282
N-(3-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654855
N-(4-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660683
N-(2-methoxy-5-methylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1309665
N-[4-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]acetamide
CID 3986405
4-[2-[[5-[(4-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 22108324

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide (CID 653071) is N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide is CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1.
What is the InChIKey of N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide?
The InChIKey is VASLLVMPZIFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S2/c1-4-33(28,29)25-16-8-5-14(6-9-16)20-23-24-21(31-20)32-12-18(27)15-7-10-17(22-13(2)26)19(11-15)30-3/h5-11,25H,4,12H2,1-3H3,(H,22,26).
What are the key properties of N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide?
N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-[4-(ethylsulfonylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 653071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).