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

C23H28N4O3S2 — CID 53068295

IUPAC2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CCCC5)o4)s3)CC2C)c1
InChIInChI=1S/C23H28N4O3S2/c1-16-6-5-9-19(14-16)27-13-12-26(15-17(27)2)32(28,29)21-11-10-20(31-21)23-25-24-22(30-23)18-7-3-4-8-18/h5-6,9-11,14,17-18H,3-4,7-8,12-13,15H2,1-2H3
InChIKeyKWQZEEVZVDGFSK-UHFFFAOYSA-N
MW472.64 g/mol
LogP4.66
Rot. Bonds5

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

2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 53068295) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
PubChem CID53068295
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC Name2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CCCC5)o4)s3)CC2C)c1
InChIInChI=1S/C23H28N4O3S2/c1-16-6-5-9-19(14-16)27-13-12-26(15-17(27)2)32(28,29)21-11-10-20(31-21)23-25-24-22(30-23)18-7-3-4-8-18/h5-6,9-11,14,17-18H,3-4,7-8,12-13,15H2,1-2H3
InChIKeyKWQZEEVZVDGFSK-UHFFFAOYSA-N
XLogP4.66
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,2-oxazole
CID 20936224
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-5-cyclopentyl-1,3,4-oxadiazole
CID 53068292
2-methyl-1-(3-methylphenyl)-4-thiophen-2-ylsulfonylpiperazine
CID 4538990
2-cyclopentyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-3-yl]-1,3,4-oxadiazole
CID 53175917
4-(benzenesulfonyl)-2-methyl-1-(3-methylphenyl)piperazine
CID 3406889
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559523
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
4-(2-fluorophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 23741901
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068247
4-(3-bromophenyl)sulfonyl-2-methyl-1-(3-methylphenyl)piperazine
CID 3393919
6-methyl-5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 4071561

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole (CID 53068295) is 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4nnc(C5CCCC5)o4)s3)CC2C)c1.
What is the InChIKey of 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is KWQZEEVZVDGFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-16-6-5-9-19(14-16)27-13-12-26(15-17(27)2)32(28,29)21-11-10-20(31-21)23-25-24-22(30-23)18-7-3-4-8-18/h5-6,9-11,14,17-18H,3-4,7-8,12-13,15H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole?
2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 472.64 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53068295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).