N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C24H24Cl2N2O4S — CID 118456219

IUPACN-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)Cc3ncc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-3-33(30,31)21-10-4-17(5-11-21)13-24(29)28-19-6-8-20(9-7-19)32-16(2)12-23-22(26)14-18(25)15-27-23/h4-11,14-16H,3,12-13H2,1-2H3,(H,28,29)
InChIKeySLEKYNVQIKWYDZ-UHFFFAOYSA-N
MW507.44 g/mol
LogP5.37
Rot. Bonds9

About N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118456219) has the molecular formula C24H24Cl2N2O4S and a molecular weight of 507.44 g/mol. Its IUPAC name is N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118456219
Molecular FormulaC24H24Cl2N2O4S
Molecular Weight507.44 g/mol
Exact Mass506.08
IUPAC NameN-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)Cc3ncc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C24H24Cl2N2O4S/c1-3-33(30,31)21-10-4-17(5-11-21)13-24(29)28-19-6-8-20(9-7-19)32-16(2)12-23-22(26)14-18(25)15-27-23/h4-11,14-16H,3,12-13H2,1-2H3,(H,28,29)
InChIKeySLEKYNVQIKWYDZ-UHFFFAOYSA-N
XLogP5.37
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118456219) is N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC(C)Cc3ncc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is SLEKYNVQIKWYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O4S/c1-3-33(30,31)21-10-4-17(5-11-21)13-24(29)28-19-6-8-20(9-7-19)32-16(2)12-23-22(26)14-18(25)15-27-23/h4-11,14-16H,3,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 507.44 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118456219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).