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

C19H22N4O4S2 — CID 53127291

IUPAC2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2csc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)c2)o1
InChIInChI=1S/C19H22N4O4S2/c1-3-17-20-21-19(27-17)14-11-18(28-13-14)29(24,25)23-9-7-22(8-10-23)15-5-4-6-16(12-15)26-2/h4-6,11-13H,3,7-10H2,1-2H3
InChIKeyJMUPINIQNZORRO-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.88
Rot. Bonds6

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

2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole (PubChem CID 53127291) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
PubChem CID53127291
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc(-c2csc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)c2)o1
InChIInChI=1S/C19H22N4O4S2/c1-3-17-20-21-19(27-17)14-11-18(28-13-14)29(24,25)23-9-7-22(8-10-23)15-5-4-6-16(12-15)26-2/h4-6,11-13H,3,7-10H2,1-2H3
InChIKeyJMUPINIQNZORRO-UHFFFAOYSA-N
XLogP2.88
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-methyl-1,3,4-oxadiazole
CID 53068043
2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
CID 53127304
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
2-[2-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-5-propyl-1,3,4-oxadiazole
CID 87050177
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole
CID 50839209
N-[(2R)-butan-2-yl]-4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168465
1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
CID 53130925
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone
CID 171146437
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole (CID 53127291) is 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole is CCc1nnc(-c2csc(S(=O)(=O)N3CCN(c4cccc(OC)c4)CC3)c2)o1.
What is the InChIKey of 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole?
The InChIKey is JMUPINIQNZORRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-3-17-20-21-19(27-17)14-11-18(28-13-14)29(24,25)23-9-7-22(8-10-23)15-5-4-6-16(12-15)26-2/h4-6,11-13H,3,7-10H2,1-2H3.
What are the key properties of 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole?
2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole has a molecular weight of 434.54 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53127291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).