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

C18H19N3O3S — CID 2989398

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-14(2)21(25(22,23)16-11-7-4-8-12-16)13-17-19-18(20-24-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyUHKWGMWSSKKGIZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.34
Rot. Bonds6

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

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 2989398) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID2989398
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19N3O3S/c1-14(2)21(25(22,23)16-11-7-4-8-12-16)13-17-19-18(20-24-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyUHKWGMWSSKKGIZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 132498655
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 2986589
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
N-isopropyl-2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 1257973
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 2216008
N-isopropyl-2-[(4-methylphenyl)thio]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2219800
N~2~-[(4-bromophenyl)sulfonyl]-N~1~-isopropyl-N~2~-methyl-N~1~-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]glycinamide
CID 2233633
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
5-[(2,6-Dimethylpiperidin-1-yl)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2943663
N-isopropyl-2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2990518
N-cyclohexyl-4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 8087367
4-chloro-N-cyclohexyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzenesulfonamide
CID 16013441

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 2989398) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UHKWGMWSSKKGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14(2)21(25(22,23)16-11-7-4-8-12-16)13-17-19-18(20-24-17)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2989398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).