2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

C23H22Cl2N2OS3 — CID 23365635

IUPAC2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2N2OS3/c1-14-12-19(29-2)20(23(26-14)30-3)27-22(28)21(16-6-10-18(25)11-7-16)31-13-15-4-8-17(24)9-5-15/h4-12,21H,13H2,1-3H3,(H,27,28)
InChIKeyJKUPHSGOHXCNBY-UHFFFAOYSA-N
MW509.55 g/mol
LogP7.75
Rot. Bonds8

About 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide (PubChem CID 23365635) has the molecular formula C23H22Cl2N2OS3 and a molecular weight of 509.55 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
PubChem CID23365635
Molecular FormulaC23H22Cl2N2OS3
Molecular Weight509.55 g/mol
Exact Mass508.03
IUPAC Name2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl2N2OS3/c1-14-12-19(29-2)20(23(26-14)30-3)27-22(28)21(16-6-10-18(25)11-7-16)31-13-15-4-8-17(24)9-5-15/h4-12,21H,13H2,1-3H3,(H,27,28)
InChIKeyJKUPHSGOHXCNBY-UHFFFAOYSA-N
XLogP7.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.55
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
CID 23365771
4-[(4-chlorophenyl)methylsulfanyl]-2,6-dimethylpyridine-3-carboxylic acid
CID 114791975
1-[(4-chlorophenyl)methyl]-1-[[3-(4-chlorophenyl)-5-methyl-1-benzofuran-2-yl]methyl]-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]urea
CID 67849996
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9034505
ethyl 2-[(4-chlorophenyl)methylsulfanyl]propanoate
CID 20542836
1-benzyl-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 10743645
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
N-[2-(4-chlorophenyl)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 132908904
2-[4-(hexylsulfanylmethoxy)-3-methoxyphenyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 54190882
3,6-dimethyl-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]thiane-2-carboxamide
CID 18988224
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 115569366
(2S)-N-(tert-butylcarbamoyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 9432487

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide (CID 23365635) is 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide is CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The InChIKey is JKUPHSGOHXCNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2OS3/c1-14-12-19(29-2)20(23(26-14)30-3)27-22(28)21(16-6-10-18(25)11-7-16)31-13-15-4-8-17(24)9-5-15/h4-12,21H,13H2,1-3H3,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide has a molecular weight of 509.55 g/mol, XLogP of 7.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 23365635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).