(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

C18H14ClN3OS — CID 6404684

IUPAC(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1
InChIInChI=1S/C18H14ClN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23)/t17-/m1/s1
InChIKeyLQYREYJOGBDEBY-QGZVFWFLSA-N
MW355.85 g/mol
LogP3.90
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (PubChem CID 6404684) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
PubChem CID6404684
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1
InChIInChI=1S/C18H14ClN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23)/t17-/m1/s1
InChIKeyLQYREYJOGBDEBY-QGZVFWFLSA-N
XLogP3.90
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (CID 6404684) is (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is NC(=O)[C@H](c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is LQYREYJOGBDEBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 355.85 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 6404684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).