5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide

C16H17N3O3S2 — CID 110322885

IUPAC5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)s1
InChIInChI=1S/C16H17N3O3S2/c1-3-13-8-9-15(23-13)24(20,21)17-10-14-18-16(19-22-14)12-6-4-11(2)5-7-12/h4-9,17H,3,10H2,1-2H3
InChIKeyJXVQWDNXPQKPCY-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.15
Rot. Bonds6

About 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide

5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110322885) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID110322885
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)s1
InChIInChI=1S/C16H17N3O3S2/c1-3-13-8-9-15(23-13)24(20,21)17-10-14-18-16(19-22-14)12-6-4-11(2)5-7-12/h4-9,17H,3,10H2,1-2H3
InChIKeyJXVQWDNXPQKPCY-UHFFFAOYSA-N
XLogP3.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
3,4-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322874
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzenesulfonamide
CID 110293556
5-[(dimethylsulfamoylamino)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 110322873
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butane-1-sulfonamide
CID 110322872
5-ethyl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 110324199
5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 6460247
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110323112
5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 23603449
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide (CID 110322885) is 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)s1.
What is the InChIKey of 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is JXVQWDNXPQKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-3-13-8-9-15(23-13)24(20,21)17-10-14-18-16(19-22-14)12-6-4-11(2)5-7-12/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110322885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).