4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

C24H29N5O4S — CID 43065062

IUPAC4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C24H29N5O4S/c1-17(2)27-34(31,32)21-11-9-20(10-12-21)24(30)29-15-13-28(14-16-29)18(3)23-25-22(26-33-23)19-7-5-4-6-8-19/h4-12,17-18,27H,13-16H2,1-3H3
InChIKeyKYUAJXLDMRPTKP-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.94
Rot. Bonds7

About 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide

4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 43065062) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID43065062
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C24H29N5O4S/c1-17(2)27-34(31,32)21-11-9-20(10-12-21)24(30)29-15-13-28(14-16-29)18(3)23-25-22(26-33-23)19-7-5-4-6-8-19/h4-12,17-18,27H,13-16H2,1-3H3
InChIKeyKYUAJXLDMRPTKP-UHFFFAOYSA-N
XLogP2.94
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47012450
2-methyl-3-(methylamino)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119857124
(3-nitro-4-pyrrolidin-1-ylphenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065039
(5-bromo-3-pyridinyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065034
[4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]urea
CID 43073692
[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 46403273
(3-hydroxynaphthalen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403274
(3-methylthiophen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 43065073
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403384

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide (CID 43065062) is 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KYUAJXLDMRPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-17(2)27-34(31,32)21-11-9-20(10-12-21)24(30)29-15-13-28(14-16-29)18(3)23-25-22(26-33-23)19-7-5-4-6-8-19/h4-12,17-18,27H,13-16H2,1-3H3.
What are the key properties of 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide?
4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43065062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).