(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide

C18H13Cl2N3OS — CID 6404686

IUPAC(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24)/t17-/m0/s1
InChIKeyZUBVWWQYGHUYKT-KRWDZBQOSA-N
MW390.30 g/mol
LogP4.55
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide

(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide (PubChem CID 6404686) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
PubChem CID6404686
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide
SMILESNC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24)/t17-/m0/s1
InChIKeyZUBVWWQYGHUYKT-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
(2R)-2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
CID 7057222
(2S)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]-2-phenylacetonitrile
CID 6404660
(2R)-2-(4-chlorophenyl)-2-hydroxyacetamide
CID 69300221
2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetamide
CID 6412272
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide
CID 6404258
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide (CID 6404686) is (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide is NC(=O)[C@@H](c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)nn1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
The InChIKey is ZUBVWWQYGHUYKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c19-12-3-1-11(2-4-12)17(18(21)24)15-9-10-16(23-22-15)25-14-7-5-13(20)6-8-14/h1-10,17H,(H2,21,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide?
(2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-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 (2S)-2-(4-chlorophenyl)-2-[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]acetamide is sourced from PubChem (CID 6404686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).