2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide

C21H21N3O3S — CID 135676883

IUPAC2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc(O)cc1=O
InChIInChI=1S/C21H21N3O3S/c1-2-12-24-20(27)13-18(25)23-21(24)28-14-19(26)22-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,13,25H,2,12,14H2,1H3,(H,22,26)
InChIKeyWEOAZKGQTWTQRF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.76
Rot. Bonds7

About 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide

2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide (PubChem CID 135676883) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
PubChem CID135676883
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc(O)cc1=O
InChIInChI=1S/C21H21N3O3S/c1-2-12-24-20(27)13-18(25)23-21(24)28-14-19(26)22-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,13,25H,2,12,14H2,1H3,(H,22,26)
InChIKeyWEOAZKGQTWTQRF-UHFFFAOYSA-N
XLogP3.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135431911
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 3167043
N-(2-phenylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 4785047
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 135399186
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 4663274
2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 3605129
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
N-(2-methoxyphenyl)-2-[(7-oxo-3-phenyl-6-propyl-[1,2]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
CID 50841730
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 135471749

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide (CID 135676883) is 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide is CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc(O)cc1=O.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
The InChIKey is WEOAZKGQTWTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-12-24-20(27)13-18(25)23-21(24)28-14-19(26)22-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,13,25H,2,12,14H2,1H3,(H,22,26).
What are the key properties of 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide?
2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide has a molecular weight of 395.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 135676883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).