2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

C22H23N3OS — CID 8729800

IUPAC2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C(C)C)n1
InChIInChI=1S/C22H23N3OS/c1-15(2)18-11-7-8-12-19(18)24-21(26)14-27-22-23-16(3)13-20(25-22)17-9-5-4-6-10-17/h4-13,15H,14H2,1-3H3,(H,24,26)
InChIKeyFYPBZYGHQLOSAI-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.31
Rot. Bonds6

About 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 8729800) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID8729800
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C(C)C)n1
InChIInChI=1S/C22H23N3OS/c1-15(2)18-11-7-8-12-19(18)24-21(26)14-27-22-23-16(3)13-20(25-22)17-9-5-4-6-10-17/h4-13,15H,14H2,1-3H3,(H,24,26)
InChIKeyFYPBZYGHQLOSAI-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
N-(9,10-dioxoanthracen-1-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4137000
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 39922720
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731587
N-(5-chloro-2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 21383075
N-[(2R)-heptan-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731618
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4168509

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 8729800) is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C(C)C)n1.
What is the InChIKey of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is FYPBZYGHQLOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15(2)18-11-7-8-12-19(18)24-21(26)14-27-22-23-16(3)13-20(25-22)17-9-5-4-6-10-17/h4-13,15H,14H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 377.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 8729800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).