5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

C18H19N3O4S — CID 46365752

IUPAC5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)no1
InChIInChI=1S/C18H19N3O4S/c1-4-17-19-18(20-25-17)13-6-5-12(2)16(11-13)26(22,23)21-14-7-9-15(24-3)10-8-14/h5-11,21H,4H2,1-3H3
InChIKeyVTDCBAGVOUUUDG-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.42
Rot. Bonds6

About 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 46365752) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID46365752
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)no1
InChIInChI=1S/C18H19N3O4S/c1-4-17-19-18(20-25-17)13-6-5-12(2)16(11-13)26(22,23)21-14-7-9-15(24-3)10-8-14/h5-11,21H,4H2,1-3H3
InChIKeyVTDCBAGVOUUUDG-UHFFFAOYSA-N
XLogP3.42
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
N-(3-methoxyphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365695
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46365804
N-cyclooctyl-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365758
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365724
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
N-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823172
N-(4-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094959
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (CID 46365752) is 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)no1.
What is the InChIKey of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is VTDCBAGVOUUUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-17-19-18(20-25-17)13-6-5-12(2)16(11-13)26(22,23)21-14-7-9-15(24-3)10-8-14/h5-11,21H,4H2,1-3H3.
What are the key properties of 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 373.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46365752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).