2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

C22H25N3O2S — CID 3963623

IUPAC2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc2c(c(=O)n1C)C1=C(CCCC1)C2)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c1-14(15-8-4-3-5-9-15)23-19(26)13-28-22-24-18-12-16-10-6-7-11-17(16)20(18)21(27)25(22)2/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,26)
InChIKeyIWJKAMRLQIKUDY-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.63
Rot. Bonds5

About 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 3963623) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID3963623
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1nc2c(c(=O)n1C)C1=C(CCCC1)C2)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c1-14(15-8-4-3-5-9-15)23-19(26)13-28-22-24-18-12-16-10-6-7-11-17(16)20(18)21(27)25(22)2/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,26)
InChIKeyIWJKAMRLQIKUDY-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide with MolForge

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Related Compounds

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2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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CID 135853372
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
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CID 661738
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetamide
CID 661841
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CID 2467500
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 3963623) is 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1nc2c(c(=O)n1C)C1=C(CCCC1)C2)c1ccccc1.
What is the InChIKey of 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is IWJKAMRLQIKUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-14(15-8-4-3-5-9-15)23-19(26)13-28-22-24-18-12-16-10-6-7-11-17(16)20(18)21(27)25(22)2/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-5H-indeno[2,1-d]pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 3963623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).