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

C19H21N3O4S — CID 110321983

IUPAC4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-14-4-10-17(11-5-14)27(23,24)20-13-12-18-21-22-19(26-18)15-6-8-16(25-2)9-7-15/h4-11,20H,3,12-13H2,1-2H3
InChIKeyKPCIKTPNIQHNRA-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.83
Rot. Bonds8

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

4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 110321983) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
PubChem CID110321983
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-14-4-10-17(11-5-14)27(23,24)20-13-12-18-21-22-19(26-18)15-6-8-16(25-2)9-7-15/h4-11,20H,3,12-13H2,1-2H3
InChIKeyKPCIKTPNIQHNRA-UHFFFAOYSA-N
XLogP2.83
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320446
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylbenzenesulfonamide
CID 110321999
4-ethoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320918
4-fluoro-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110320165
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110321992
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
4-methoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4897923
2-(4-methoxyphenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 110653679
4-tert-butyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320486
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide (CID 110321983) is 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2nnc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is KPCIKTPNIQHNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-14-4-10-17(11-5-14)27(23,24)20-13-12-18-21-22-19(26-18)15-6-8-16(25-2)9-7-15/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide?
4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110321983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).