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

C23H27N5O4S — CID 55636741

IUPACN-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccccc4NS(C)(=O)=O)CC3)n2)cc1
InChIInChI=1S/C23H27N5O4S/c1-16-8-10-18(11-9-16)21-24-22(32-25-21)17(2)27-12-14-28(15-13-27)23(29)19-6-4-5-7-20(19)26-33(3,30)31/h4-11,17,26H,12-15H2,1-3H3
InChIKeyKJTUHSFCTKDAIL-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.94
Rot. Bonds6

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

N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 55636741) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID55636741
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccccc4NS(C)(=O)=O)CC3)n2)cc1
InChIInChI=1S/C23H27N5O4S/c1-16-8-10-18(11-9-16)21-24-22(32-25-21)17(2)27-12-14-28(15-13-27)23(29)19-6-4-5-7-20(19)26-33(3,30)31/h4-11,17,26H,12-15H2,1-3H3
InChIKeyKJTUHSFCTKDAIL-UHFFFAOYSA-N
XLogP2.94
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-aminophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946676
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 43063165
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 55602230
(2,4-dichlorophenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43063170
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
[4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]urea
CID 43073692
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
(3-hydroxynaphthalen-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403274
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119855455

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 55636741) is N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)c4ccccc4NS(C)(=O)=O)CC3)n2)cc1.
What is the InChIKey of N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is KJTUHSFCTKDAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-16-8-10-18(11-9-16)21-24-22(32-25-21)17(2)27-12-14-28(15-13-27)23(29)19-6-4-5-7-20(19)26-33(3,30)31/h4-11,17,26H,12-15H2,1-3H3.
What are the key properties of N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 469.57 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 55636741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).