2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole

C18H20N4O4S2 — CID 53068043

IUPAC2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C)o4)s3)CC2)c1
InChIInChI=1S/C18H20N4O4S2/c1-13-19-20-18(26-13)16-6-7-17(27-16)28(23,24)22-10-8-21(9-11-22)14-4-3-5-15(12-14)25-2/h3-7,12H,8-11H2,1-2H3
InChIKeyIHWGJXROUHSKKB-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.63
Rot. Bonds5

About 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole

2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 53068043) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID53068043
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C)o4)s3)CC2)c1
InChIInChI=1S/C18H20N4O4S2/c1-13-19-20-18(26-13)16-6-7-17(27-16)28(23,24)22-10-8-21(9-11-22)14-4-3-5-15(12-14)25-2/h3-7,12H,8-11H2,1-2H3
InChIKeyIHWGJXROUHSKKB-UHFFFAOYSA-N
XLogP2.63
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
CID 53068292
2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
CID 53127291
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
2-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53175752
1-(4-bromo-2,5-dichlorothiophen-3-yl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 23854150
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(5-ethylthiophen-2-yl)sulfonyl-4-(3-methylphenyl)piperazine
CID 113075282
2-[(1S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 94176715
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
1-(2-fluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3799087
2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
CID 53068295

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole (CID 53068043) is 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole is COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C)o4)s3)CC2)c1.
What is the InChIKey of 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is IHWGJXROUHSKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-13-19-20-18(26-13)16-6-7-17(27-16)28(23,24)22-10-8-21(9-11-22)14-4-3-5-15(12-14)25-2/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole?
2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 420.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 53068043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).