N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

C19H21N3O3S — CID 53055948

IUPACN,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(-c2nc(CCN(C)S(=O)(=O)c3cccc(C)c3)no2)c1
InChIInChI=1S/C19H21N3O3S/c1-14-6-4-8-16(12-14)19-20-18(21-25-19)10-11-22(3)26(23,24)17-9-5-7-15(2)13-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyFNRDSKACIZUZJW-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.22
Rot. Bonds6

About N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide

N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 53055948) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
PubChem CID53055948
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(-c2nc(CCN(C)S(=O)(=O)c3cccc(C)c3)no2)c1
InChIInChI=1S/C19H21N3O3S/c1-14-6-4-8-16(12-14)19-20-18(21-25-19)10-11-22(3)26(23,24)17-9-5-7-15(2)13-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyFNRDSKACIZUZJW-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055927
N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 46290837
N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
CID 53055938
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055857
N,3,5-trimethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056102
5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide
CID 53055702
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 53055827
N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53056018

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide (CID 53055948) is N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3cccc(C)c3)no2)c1.
What is the InChIKey of N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
The InChIKey is FNRDSKACIZUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-6-4-8-16(12-14)19-20-18(21-25-19)10-11-22(3)26(23,24)17-9-5-7-15(2)13-17/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide?
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53055948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).