2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C26H32N4O3S — CID 55387528

IUPAC2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(c1nnc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C26H32N4O3S/c1-20(25-27-28-26(33-25)23-10-6-3-7-11-23)29-16-18-30(19-17-29)34(31,32)24-14-12-22(13-15-24)21-8-4-2-5-9-21/h3,6-7,10-15,20-21H,2,4-5,8-9,16-19H2,1H3
InChIKeyDDWMAMSYJWBEDY-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.85
Rot. Bonds6

About 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 55387528) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID55387528
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(c1nnc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C26H32N4O3S/c1-20(25-27-28-26(33-25)23-10-6-3-7-11-23)29-16-18-30(19-17-29)34(31,32)24-14-12-22(13-15-24)21-8-4-2-5-9-21/h3,6-7,10-15,20-21H,2,4-5,8-9,16-19H2,1H3
InChIKeyDDWMAMSYJWBEDY-UHFFFAOYSA-N
XLogP4.85
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 41231423
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2,6-dimethyl-4-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 55600929
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
2-[(1S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 41166930
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
2-phenyl-5-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 55988104
2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 43074720
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 20867361
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 18196363
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 55387528) is 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is CC(c1nnc(-c2ccccc2)o1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is DDWMAMSYJWBEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-20(25-27-28-26(33-25)23-10-6-3-7-11-23)29-16-18-30(19-17-29)34(31,32)24-14-12-22(13-15-24)21-8-4-2-5-9-21/h3,6-7,10-15,20-21H,2,4-5,8-9,16-19H2,1H3.
What are the key properties of 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 480.63 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 55387528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).