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

C19H21N3O3S — CID 1259410

IUPACN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)22(26(23,24)17-7-5-4-6-8-17)13-18-20-19(21-25-18)16-11-9-15(3)10-12-16/h4-12,14H,13H2,1-3H3
InChIKeyFOAFHGHKNYAPEL-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.64
Rot. Bonds6

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

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1259410) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID1259410
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)22(26(23,24)17-7-5-4-6-8-17)13-18-20-19(21-25-18)16-11-9-15(3)10-12-16/h4-12,14H,13H2,1-3H3
InChIKeyFOAFHGHKNYAPEL-UHFFFAOYSA-N
XLogP3.64
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylsulfamoyl]phenyl]acetamide
CID 6494974
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,4-di(propan-2-yl)benzenesulfonamide
CID 30154634
N-[(2S)-butan-2-yl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154516
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17078786
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 53278268
4-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 17078760
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 132668373
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylpropanamide
CID 3899843
N,3,5-trimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94872741

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide (CID 1259410) is N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide is Cc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is FOAFHGHKNYAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(2)22(26(23,24)17-7-5-4-6-8-17)13-18-20-19(21-25-18)16-11-9-15(3)10-12-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide?
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1259410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).