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

C20H23N3O4S — CID 50747600

IUPACN-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3CC)ccc2OC)n1
InChIInChI=1S/C20H23N3O4S/c1-4-8-19-21-20(27-22-19)16-13-15(11-12-18(16)26-3)28(24,25)23-17-10-7-6-9-14(17)5-2/h6-7,9-13,23H,4-5,8H2,1-3H3
InChIKeyYJUBCZYBENGSEI-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.06
Rot. Bonds8

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

N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 50747600) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID50747600
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESCCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3CC)ccc2OC)n1
InChIInChI=1S/C20H23N3O4S/c1-4-8-19-21-20(27-22-19)16-13-15(11-12-18(16)26-3)28(24,25)23-17-10-7-6-9-14(17)5-2/h6-7,9-13,23H,4-5,8H2,1-3H3
InChIKeyYJUBCZYBENGSEI-UHFFFAOYSA-N
XLogP4.06
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747563
4-methoxy-N-(3-methylphenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747612
N-benzyl-4-methoxy-N-methyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747540
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
CID 50747574
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724
4-methyl-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 30332754
N-(2,4-dimethoxyphenyl)-4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747618
N-methyl-2-(3-propyl-1,2,4-oxadiazol-5-yl)aniline
CID 43670382
N-(3,4-dimethylphenyl)-4-methoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747543
5-(3,4-dimethoxyphenyl)-3-propyl-1,2,4-oxadiazole
CID 768428
N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747629
3-fluoro-4-methoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563985

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 50747600) is N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is CCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3CC)ccc2OC)n1.
What is the InChIKey of N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is YJUBCZYBENGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-4-8-19-21-20(27-22-19)16-13-15(11-12-18(16)26-3)28(24,25)23-17-10-7-6-9-14(17)5-2/h6-7,9-13,23H,4-5,8H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-methoxy-3-(3-propyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50747600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).