N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide

C15H15Cl2N3O2S — CID 59834497

IUPACN-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Sc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O2S/c1-7(2)10-6-13(19-20-15(10)22)23-14-11(16)4-9(5-12(14)17)18-8(3)21/h4-7H,1-3H3,(H,18,21)(H,20,22)
InChIKeyRFZGWLWEJAGAJE-UHFFFAOYSA-N
MW372.28 g/mol
LogP4.31
Rot. Bonds4

About N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide

N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide (PubChem CID 59834497) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide
PubChem CID59834497
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC NameN-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Sc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O2S/c1-7(2)10-6-13(19-20-15(10)22)23-14-11(16)4-9(5-12(14)17)18-8(3)21/h4-7H,1-3H3,(H,18,21)(H,20,22)
InChIKeyRFZGWLWEJAGAJE-UHFFFAOYSA-N
XLogP4.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide (CID 59834497) is N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide is CC(=O)Nc1cc(Cl)c(Sc2cc(C(C)C)c(=O)[nH]n2)c(Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide?
The InChIKey is RFZGWLWEJAGAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-7(2)10-6-13(19-20-15(10)22)23-14-11(16)4-9(5-12(14)17)18-8(3)21/h4-7H,1-3H3,(H,18,21)(H,20,22).
What are the key properties of N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide?
N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide has a molecular weight of 372.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 59834497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).