N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide

C24H17Cl2N3OS — CID 3256970

IUPACN-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H17Cl2N3OS/c25-18-12-7-13-19(23(18)26)27-22(30)15-31-24-28-20(16-8-3-1-4-9-16)14-21(29-24)17-10-5-2-6-11-17/h1-14H,15H2,(H,27,30)
InChIKeyKMILIVQWFCYIOL-UHFFFAOYSA-N
MW466.39 g/mol
LogP6.85
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide

N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 3256970) has the molecular formula C24H17Cl2N3OS and a molecular weight of 466.39 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID3256970
Molecular FormulaC24H17Cl2N3OS
Molecular Weight466.39 g/mol
Exact Mass465.05
IUPAC NameN-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H17Cl2N3OS/c25-18-12-7-13-19(23(18)26)27-22(30)15-31-24-28-20(16-8-3-1-4-9-16)14-21(29-24)17-10-5-2-6-11-17/h1-14H,15H2,(H,27,30)
InChIKeyKMILIVQWFCYIOL-UHFFFAOYSA-N
XLogP6.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.39
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
N-(2,3-dichlorophenyl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 3144670
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 40560476
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
N-(2,3-dichlorophenyl)-2-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19727471
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 8729800
N-(2,3-dichlorophenyl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide
CID 3166645
N-(5-chloro-2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 21383075

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide (CID 3256970) is N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide is O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KMILIVQWFCYIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3OS/c25-18-12-7-13-19(23(18)26)27-22(30)15-31-24-28-20(16-8-3-1-4-9-16)14-21(29-24)17-10-5-2-6-11-17/h1-14H,15H2,(H,27,30).
What are the key properties of N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 466.39 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3256970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).