N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide

C24H24N4O4S — CID 146926446

IUPACN-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4C=NS(C)(=O)=O)no2)cc1C#N
InChIInChI=1S/C24H24N4O4S/c1-15(2)31-22-11-10-16(12-18(22)13-25)24-27-23(28-32-24)21-9-5-7-19-17(6-4-8-20(19)21)14-26-33(3,29)30/h5,7,9-12,14-15,17H,4,6,8H2,1-3H3
InChIKeyAEDZQDNJEXSMGR-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.51
Rot. Bonds6

About N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide

N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide (PubChem CID 146926446) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide
PubChem CID146926446
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4C=NS(C)(=O)=O)no2)cc1C#N
InChIInChI=1S/C24H24N4O4S/c1-15(2)31-22-11-10-16(12-18(22)13-25)24-27-23(28-32-24)21-9-5-7-19-17(6-4-8-20(19)21)14-26-33(3,29)30/h5,7,9-12,14-15,17H,4,6,8H2,1-3H3
InChIKeyAEDZQDNJEXSMGR-UHFFFAOYSA-N
XLogP4.51
TPSA118.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide with MolForge

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Related Compounds

ethyl N-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methylidene]carbamate
CID 163478378
5-[3-[(1S)-1-methyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 58344610
2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]methylideneamino]-N,N-dimethylacetamide
CID 123867211
5-(3-cyano-4-propan-2-yloxyphenyl)-3-[5-(sulfinatoamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole
CID 67319825
5-[3-(1-methoxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 123835627
tert-butyl N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 140565325
2-[[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]-N,N-dimethylacetamide
CID 52938048
N-[(1R)-5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(dimethylamino)ethanesulfonamide
CID 52938298
5-[3-[(1S)-1-tert-butyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 159699341
5-[3-[(1R)-1-tert-butyl-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
CID 172770735
2-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 67198246
CID 88928133
CID 88928133

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide?
The IUPAC name of N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide (CID 146926446) is N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide.
What is the SMILES notation for N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide?
The canonical SMILES for N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCC4C=NS(C)(=O)=O)no2)cc1C#N.
What is the InChIKey of N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide?
The InChIKey is AEDZQDNJEXSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15(2)31-22-11-10-16(12-18(22)13-25)24-27-23(28-32-24)21-9-5-7-19-17(6-4-8-20(19)21)14-26-33(3,29)30/h5,7,9-12,14-15,17H,4,6,8H2,1-3H3.
What are the key properties of N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide?
N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide has a molecular weight of 464.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]methylidene]methanesulfonamide is sourced from PubChem (CID 146926446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).