N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide

C22H22N2OS3 — CID 23365771

IUPACN-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2OS3/c1-15-14-18(26-2)19(22(23-15)27-3)24-21(25)20(16-10-6-4-7-11-16)28-17-12-8-5-9-13-17/h4-14,20H,1-3H3,(H,24,25)
InChIKeyKOIGBOYKSINROG-UHFFFAOYSA-N
MW426.63 g/mol
LogP6.31
Rot. Bonds7

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

N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 23365771) has the molecular formula C22H22N2OS3 and a molecular weight of 426.63 g/mol. Its IUPAC name is N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID23365771
Molecular FormulaC22H22N2OS3
Molecular Weight426.63 g/mol
Exact Mass426.09
IUPAC NameN-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2OS3/c1-15-14-18(26-2)19(22(23-15)27-3)24-21(25)20(16-10-6-4-7-11-16)28-17-12-8-5-9-13-17/h4-14,20H,1-3H3,(H,24,25)
InChIKeyKOIGBOYKSINROG-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
(2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2163801
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
CID 42888617
2-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
CID 23365635
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 6412172
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
N-(3,5-difluorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 17271870
N-(3-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904304

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide (CID 23365771) is N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide is CSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is KOIGBOYKSINROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS3/c1-15-14-18(26-2)19(22(23-15)27-3)24-21(25)20(16-10-6-4-7-11-16)28-17-12-8-5-9-13-17/h4-14,20H,1-3H3,(H,24,25).
What are the key properties of N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 426.63 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 23365771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).