N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide

C25H31N3O5S — CID 30154753

IUPACN-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-17(2)18-9-12-21(13-10-18)34(29,30)28(20-7-5-6-8-20)16-24-26-25(27-33-24)19-11-14-22(31-3)23(15-19)32-4/h9-15,17,20H,5-8,16H2,1-4H3
InChIKeyUFHBPTHIQHAZBF-UHFFFAOYSA-N
MW485.61 g/mol
LogP5.01
Rot. Bonds9

About N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide

N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 30154753) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID30154753
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC NameN-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC
InChIInChI=1S/C25H31N3O5S/c1-17(2)18-9-12-21(13-10-18)34(29,30)28(20-7-5-6-8-20)16-24-26-25(27-33-24)19-11-14-22(31-3)23(15-19)32-4/h9-15,17,20H,5-8,16H2,1-4H3
InChIKeyUFHBPTHIQHAZBF-UHFFFAOYSA-N
XLogP5.01
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.61
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154570
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 23608395
5-chloro-N-cyclohexyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154240
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
N-[4-[cyclohexyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]phenyl]acetamide
CID 17358750
N-benzyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanamine
CID 55865766
1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 8895983
5-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 30154406
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-di(propan-2-yl)benzenesulfonamide
CID 30154634
1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea
CID 17275257
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylbenzamide
CID 6494950

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide (CID 30154753) is N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide is COc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1OC.
What is the InChIKey of N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is UFHBPTHIQHAZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-17(2)18-9-12-21(13-10-18)34(29,30)28(20-7-5-6-8-20)16-24-26-25(27-33-24)19-11-14-22(31-3)23(15-19)32-4/h9-15,17,20H,5-8,16H2,1-4H3.
What are the key properties of N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide?
N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 30154753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).