propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate

C18H21N3O4S — CID 7748146

IUPACpropyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2c(SC)nc(C)cc2=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-4-9-25-17(24)13-5-7-14(8-6-13)20-15(22)11-21-16(23)10-12(2)19-18(21)26-3/h5-8,10H,4,9,11H2,1-3H3,(H,20,22)
InChIKeyJPSNGJZXUWKASS-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.48
Rot. Bonds7

About propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate

propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate (PubChem CID 7748146) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
PubChem CID7748146
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Namepropyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2c(SC)nc(C)cc2=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-4-9-25-17(24)13-5-7-14(8-6-13)20-15(22)11-21-16(23)10-12(2)19-18(21)26-3/h5-8,10H,4,9,11H2,1-3H3,(H,20,22)
InChIKeyJPSNGJZXUWKASS-UHFFFAOYSA-N
XLogP2.48
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748899
ethyl 2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748156
propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 39768110
butyl 4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 3514032
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511019
methyl 4-[[2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 7748372
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)-N-(propan-2-ylideneamino)acetamide
CID 4049597
2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 7748580
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748810
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate (CID 7748146) is propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cn2c(SC)nc(C)cc2=O)cc1.
What is the InChIKey of propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
The InChIKey is JPSNGJZXUWKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-4-9-25-17(24)13-5-7-14(8-6-13)20-15(22)11-21-16(23)10-12(2)19-18(21)26-3/h5-8,10H,4,9,11H2,1-3H3,(H,20,22).
What are the key properties of propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate?
propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate has a molecular weight of 375.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 7748146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).