N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

C20H23N3O4S — CID 50747563

IUPACN-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc2OC)n1
InChIInChI=1S/C20H23N3O4S/c1-5-6-19-21-20(27-22-19)17-12-16(7-8-18(17)26-4)28(24,25)23-15-10-13(2)9-14(3)11-15/h7-12,23H,5-6H2,1-4H3
InChIKeyFHHNQUKTAZQMSZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.12
Rot. Bonds7

About N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide

N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747563) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747563
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc2OC)n1
InChIInChI=1S/C20H23N3O4S/c1-5-6-19-21-20(27-22-19)17-12-16(7-8-18(17)26-4)28(24,25)23-15-10-13(2)9-14(3)11-15/h7-12,23H,5-6H2,1-4H3
InChIKeyFHHNQUKTAZQMSZ-UHFFFAOYSA-N
XLogP4.12
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747600
4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747503
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747540
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747543
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
CID 50747574
N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747629
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
4-methoxy-3-methyl-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643631

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747563) is N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is CCCc1noc(-c2cc(S(=O)(=O)Nc3cc(C)cc(C)c3)ccc2OC)n1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is FHHNQUKTAZQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-5-6-19-21-20(27-22-19)17-12-16(7-8-18(17)26-4)28(24,25)23-15-10-13(2)9-14(3)11-15/h7-12,23H,5-6H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).