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

C18H20N4O3S — CID 110320880

IUPAC4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C18H20N4O3S/c1-13(2)14-3-5-16(6-4-14)26(23,24)20-12-9-17-21-22-18(25-17)15-7-10-19-11-8-15/h3-8,10-11,13,20H,9,12H2,1-2H3
InChIKeyZOOHKXMQOGHFAE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.78
Rot. Bonds7

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

4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110320880) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110320880
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C18H20N4O3S/c1-13(2)14-3-5-16(6-4-14)26(23,24)20-12-9-17-21-22-18(25-17)15-7-10-19-11-8-15/h3-8,10-11,13,20H,9,12H2,1-2H3
InChIKeyZOOHKXMQOGHFAE-UHFFFAOYSA-N
XLogP2.78
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320875
4-ethoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320918
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320865
2-oxo-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110320910
4-tert-butyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320486
4-ethyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320446
4-ethyl-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318895
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
5-chloro-2-methoxy-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320920
1-(4-methylphenyl)-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320905
4-ethyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321983
4-methoxy-2,5-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320894

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide (CID 110320880) is 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is ZOOHKXMQOGHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13(2)14-3-5-16(6-4-14)26(23,24)20-12-9-17-21-22-18(25-17)15-7-10-19-11-8-15/h3-8,10-11,13,20H,9,12H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide?
4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110320880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).