N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide

C24H32N4O3S — CID 166977321

IUPACN-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1nc(CCCCCNc2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2)no1
InChIInChI=1S/C24H32N4O3S/c1-24(2,3)23-26-22(27-31-23)11-6-5-7-16-25-21-10-8-9-19(17-21)18-12-14-20(15-13-18)28-32(4,29)30/h8-10,12-15,17,25,28H,5-7,11,16H2,1-4H3
InChIKeyQZMSTBPBMSHAQK-UHFFFAOYSA-N
MW456.61 g/mol
LogP5.23
Rot. Bonds10

About N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide

N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide (PubChem CID 166977321) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide
PubChem CID166977321
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1nc(CCCCCNc2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2)no1
InChIInChI=1S/C24H32N4O3S/c1-24(2,3)23-26-22(27-31-23)11-6-5-7-16-25-21-10-8-9-19(17-21)18-12-14-20(15-13-18)28-32(4,29)30/h8-10,12-15,17,25,28H,5-7,11,16H2,1-4H3
InChIKeyQZMSTBPBMSHAQK-UHFFFAOYSA-N
XLogP5.23
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentyl]-4-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]pent-4-enamide
CID 166977355
N-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentyl]-3-(3-cyclopropyl-1,2-oxazol-5-yl)aniline
CID 167077782
3-bromo-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentyl]aniline
CID 166977158
4-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-2-methylidene-N-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pentyl]butanamide
CID 170102721
N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 155063225
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110294399
ethene;3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pentyl]aniline
CID 154683572
N,N'-bis(3-phenylphenyl)propane-1,3-diamine
CID 22968041
N-[4-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 154834393
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
N-[2-(benzenesulfonyl)ethyl]-2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 167783653

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide (CID 166977321) is N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide is CC(C)(C)c1nc(CCCCCNc2cccc(-c3ccc(NS(C)(=O)=O)cc3)c2)no1.
What is the InChIKey of N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide?
The InChIKey is QZMSTBPBMSHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-24(2,3)23-26-22(27-31-23)11-6-5-7-16-25-21-10-8-9-19(17-21)18-12-14-20(15-13-18)28-32(4,29)30/h8-10,12-15,17,25,28H,5-7,11,16H2,1-4H3.
What are the key properties of N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide?
N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 5.23, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(5-tert-butyl-1,2,4-oxadiazol-3-yl)pentylamino]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 166977321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).