2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C23H22N4O2S — CID 8731531

IUPAC2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C23H22N4O2S/c1-16-14-20(17-6-3-2-4-7-17)26-23(24-16)30-15-21(28)25-18-9-11-19(12-10-18)27-13-5-8-22(27)29/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,25,28)
InChIKeyKJRRBWHWJQWAPY-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.31
Rot. Bonds6

About 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 8731531) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID8731531
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C23H22N4O2S/c1-16-14-20(17-6-3-2-4-7-17)26-23(24-16)30-15-21(28)25-18-9-11-19(12-10-18)27-13-5-8-22(27)29/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,25,28)
InChIKeyKJRRBWHWJQWAPY-UHFFFAOYSA-N
XLogP4.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 126389565
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4168509
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591854
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730126
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
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
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 30703287
N-(3,4-dimethylphenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 1242723
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 8729800

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 8731531) is 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1.
What is the InChIKey of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is KJRRBWHWJQWAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-14-20(17-6-3-2-4-7-17)26-23(24-16)30-15-21(28)25-18-9-11-19(12-10-18)27-13-5-8-22(27)29/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,25,28).
What are the key properties of 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 8731531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).