4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C30H35N5O4S — CID 24992751

IUPAC4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(=O)(=O)NCCc5ccncc5)cc4)cc3)CC2)n1
InChIInChI=1S/C30H35N5O4S/c1-22(2)29-33-30(39-34-29)35-19-14-24(15-20-35)21-38-27-7-3-25(4-8-27)26-5-9-28(10-6-26)40(36,37)32-18-13-23-11-16-31-17-12-23/h3-12,16-17,22,24,32H,13-15,18-21H2,1-2H3
InChIKeyMRYZSWBENSNFOC-UHFFFAOYSA-N
MW561.71 g/mol
LogP5.07
Rot. Bonds11

About 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 24992751) has the molecular formula C30H35N5O4S and a molecular weight of 561.71 g/mol. Its IUPAC name is 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID24992751
Molecular FormulaC30H35N5O4S
Molecular Weight561.71 g/mol
Exact Mass561.24
IUPAC Name4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(=O)(=O)NCCc5ccncc5)cc4)cc3)CC2)n1
InChIInChI=1S/C30H35N5O4S/c1-22(2)29-33-30(39-34-29)35-19-14-24(15-20-35)21-38-27-7-3-25(4-8-27)26-5-9-28(10-6-26)40(36,37)32-18-13-23-11-16-31-17-12-23/h3-12,16-17,22,24,32H,13-15,18-21H2,1-2H3
InChIKeyMRYZSWBENSNFOC-UHFFFAOYSA-N
XLogP5.07
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.71
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide with MolForge

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Related Compounds

2-piperidin-1-yl-N-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]phenyl]sulfanylethanamine;2,2,2-trifluoroacetic acid
CID 143689761
(3-hydroxyazetidin-1-yl)-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123328287
[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 123816313
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone;hydrochloride
CID 126640234
3-[methyl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]amino]propylcarbamic acid
CID 146418194
1-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]piperidine-4-carbonitrile
CID 123936551
5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzoic acid
CID 59161816
N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
CID 123145547
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
N-ethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365327
propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24992753

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 24992751) is 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(=O)(=O)NCCc5ccncc5)cc4)cc3)CC2)n1.
What is the InChIKey of 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is MRYZSWBENSNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4S/c1-22(2)29-33-30(39-34-29)35-19-14-24(15-20-35)21-38-27-7-3-25(4-8-27)26-5-9-28(10-6-26)40(36,37)32-18-13-23-11-16-31-17-12-23/h3-12,16-17,22,24,32H,13-15,18-21H2,1-2H3.
What are the key properties of 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 561.71 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 24992751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).