2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide

C22H26N4O6S2 — CID 3184984

IUPAC2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)o2)cc1
InChIInChI=1S/C22H26N4O6S2/c1-5-26(6-2)34(28,29)19-9-7-15(8-10-19)21-24-25-22(32-21)33-14-20(27)23-16-11-17(30-3)13-18(12-16)31-4/h7-13H,5-6,14H2,1-4H3,(H,23,27)
InChIKeyFGXMWWPGNDAJCH-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.52
Rot. Bonds11

About 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide

2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 3184984) has the molecular formula C22H26N4O6S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID3184984
Molecular FormulaC22H26N4O6S2
Molecular Weight506.61 g/mol
Exact Mass506.13
IUPAC Name2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)o2)cc1
InChIInChI=1S/C22H26N4O6S2/c1-5-26(6-2)34(28,29)19-9-7-15(8-10-19)21-24-25-22(32-21)33-14-20(27)23-16-11-17(30-3)13-18(12-16)31-4/h7-13H,5-6,14H2,1-4H3,(H,23,27)
InChIKeyFGXMWWPGNDAJCH-UHFFFAOYSA-N
XLogP3.52
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-[5-(4-diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 646995
N-(3-methoxyphenyl)-2-{[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1071228
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
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
CID 1167992
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 3184983
Acetamide, N-(4-(((3,6-dihydro-4-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1(2H)-pyridinyl)amino)sulfonyl)phenyl)-
CID 3074710
2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 375274
N-(3,5-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3149638
N-[3-[(2,4-dimethoxyphenyl)methylsulfamoyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 141743880
N-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 141743914
2-{[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-phenylacetamide
CID 2235832

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide (CID 3184984) is 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)o2)cc1.
What is the InChIKey of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is FGXMWWPGNDAJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S2/c1-5-26(6-2)34(28,29)19-9-7-15(8-10-19)21-24-25-22(32-21)33-14-20(27)23-16-11-17(30-3)13-18(12-16)31-4/h7-13H,5-6,14H2,1-4H3,(H,23,27).
What are the key properties of 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide?
2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 506.61 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 3184984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).