N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C17H19N3O3S — CID 655292

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C17H19N3O3S/c1-2-13-15(22)19-17(20-16(13)23)24-9-14(21)18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyNOTFTKLMDWLARL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.26
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 655292) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID655292
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
InChIInChI=1S/C17H19N3O3S/c1-2-13-15(22)19-17(20-16(13)23)24-9-14(21)18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,18,21)(H2,19,20,22,23)
InChIKeyNOTFTKLMDWLARL-UHFFFAOYSA-N
XLogP2.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
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CID 9505342
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 135519911
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 1379557
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
2-(5-Acetylamino-4,6-dihydroxy-pyrimidin-2-ylsulfanyl)-N-m-tolyl-acetamide
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2-(4-Hydroxy-5-isobutyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-indan-5-yl-acetamide
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N~3~-(3,4-dimethylphenyl)-7-methyl-5-oxo-N~2~-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426215
2-[(4-hydroxy-5-methyl-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135399402
N-(1,2-dihydro-5-acenaphthylenyl)-2-[(4-hydroxy-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetamide
CID 135401379
N-(1,2-dihydro-5-acenaphthylenyl)-2-{[4-hydroxy-5-methyl-1-(4-methylphenyl)-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 655292) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is NOTFTKLMDWLARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-13-15(22)19-17(20-16(13)23)24-9-14(21)18-12-7-6-10-4-3-5-11(10)8-12/h6-8H,2-5,9H2,1H3,(H,18,21)(H2,19,20,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 655292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).