N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide

C26H23N3OS — CID 39922186

IUPACN-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C26H23N3OS/c1-18-13-14-19(2)22(15-18)27-25(30)17-31-26-28-23(20-9-5-3-6-10-20)16-24(29-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyBMMIHIBEXBVFAC-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.16
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide

N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 39922186) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID39922186
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC NameN-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C26H23N3OS/c1-18-13-14-19(2)22(15-18)27-25(30)17-31-26-28-23(20-9-5-3-6-10-20)16-24(29-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyBMMIHIBEXBVFAC-UHFFFAOYSA-N
XLogP6.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.16
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-(2,5-dimethylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 959558
N-(2,5-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1130283
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
N-(2,3-dichlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 3256970
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
N-(2,5-dimethylphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126101546
N-(4-bromo-2-fluorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 4318099
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 40560476
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 8729800
N-(2,5-dimethylphenyl)-2-[[4-(2-methylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126102158
N-(9,10-dioxoanthracen-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4137000

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide (CID 39922186) is N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BMMIHIBEXBVFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-18-13-14-19(2)22(15-18)27-25(30)17-31-26-28-23(20-9-5-3-6-10-20)16-24(29-26)21-11-7-4-8-12-21/h3-16H,17H2,1-2H3,(H,27,30).
What are the key properties of N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 425.56 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 39922186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).