(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

C18H13Cl2N3OS — CID 7057222

IUPAC(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)[C@@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N3OS/c19-12-7-4-8-13(20)16(12)17(18(21)24)14-9-10-15(23-22-14)25-11-5-2-1-3-6-11/h1-10,17H,(H2,21,24)/t17-/m0/s1
InChIKeyKNYQYXSUQUVOAS-KRWDZBQOSA-N
MW390.30 g/mol
LogP4.55
Rot. Bonds5

About (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (PubChem CID 7057222) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
PubChem CID7057222
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC Name(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)[C@@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N3OS/c19-12-7-4-8-13(20)16(12)17(18(21)24)14-9-10-15(23-22-14)25-11-5-2-1-3-6-11/h1-10,17H,(H2,21,24)/t17-/m0/s1
InChIKeyKNYQYXSUQUVOAS-KRWDZBQOSA-N
XLogP4.55
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
CID 6404684
(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
CID 6404686
2-(2,6-dichlorophenyl)-2-[6-(2-hydroxyphenyl)-2-pyridinyl]acetamide
CID 135796492
4-[6-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-2-pyridinyl]benzoic acid
CID 21354189
2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile
CID 6409757
2-(2,6-dichlorophenyl)-2-[6-(2-formylphenyl)-2-pyridinyl]acetamide
CID 21354072
2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetamide
CID 6412272
phenylsulfanylbenzene;urea
CID 161199097
2-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 21354159
2-(2-chloro-6-fluorophenyl)-2-[6-(2-formylphenyl)-2-pyridinyl]acetamide
CID 21354124
(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 1473781
azetidin-1-yl-[6-(2-chlorophenyl)sulfanylpyridazin-3-yl]methanone
CID 71867029

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (CID 7057222) is (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is NC(=O)[C@@H](c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is KNYQYXSUQUVOAS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c19-12-7-4-8-13(20)16(12)17(18(21)24)14-9-10-15(23-22-14)25-11-5-2-1-3-6-11/h1-10,17H,(H2,21,24)/t17-/m0/s1.
What are the key properties of (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 390.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 7057222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).