N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C24H23Cl2N3O4S — CID 134180171

IUPACN-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4nc(C5CC5)no4)CC3)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2N3O4S/c1-2-34(31,32)17-7-3-14(4-8-17)11-20(30)27-16-12-18(25)21(19(26)13-16)24(9-10-24)23-28-22(29-33-23)15-5-6-15/h3-4,7-8,12-13,15H,2,5-6,9-11H2,1H3,(H,27,30)
InChIKeyNRZUNKIYBFMULG-UHFFFAOYSA-N
MW520.44 g/mol
LogP5.31
Rot. Bonds8

About N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 134180171) has the molecular formula C24H23Cl2N3O4S and a molecular weight of 520.44 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID134180171
Molecular FormulaC24H23Cl2N3O4S
Molecular Weight520.44 g/mol
Exact Mass519.08
IUPAC NameN-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4nc(C5CC5)no4)CC3)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2N3O4S/c1-2-34(31,32)17-7-3-14(4-8-17)11-20(30)27-16-12-18(25)21(19(26)13-16)24(9-10-24)23-28-22(29-33-23)15-5-6-15/h3-4,7-8,12-13,15H,2,5-6,9-11H2,1H3,(H,27,30)
InChIKeyNRZUNKIYBFMULG-UHFFFAOYSA-N
XLogP5.31
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 134180171) is N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(C3(c4nc(C5CC5)no4)CC3)c(Cl)c2)cc1.
What is the InChIKey of N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is NRZUNKIYBFMULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O4S/c1-2-34(31,32)17-7-3-14(4-8-17)11-20(30)27-16-12-18(25)21(19(26)13-16)24(9-10-24)23-28-22(29-33-23)15-5-6-15/h3-4,7-8,12-13,15H,2,5-6,9-11H2,1H3,(H,27,30).
What are the key properties of N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 520.44 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 134180171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).