ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H25N3O7S — CID 24615653

IUPACethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2ccccc2N(C)S(C)(=O)=O)NC(=O)NC1c1ccccc1
InChIInChI=1S/C23H25N3O7S/c1-4-32-22(28)19-17(24-23(29)25-20(19)15-10-6-5-7-11-15)14-33-21(27)16-12-8-9-13-18(16)26(2)34(3,30)31/h5-13,20H,4,14H2,1-3H3,(H2,24,25,29)
InChIKeyOYIUQEIOIVNQQW-UHFFFAOYSA-N
MW487.53 g/mol
LogP2.11
Rot. Bonds8

About ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24615653) has the molecular formula C23H25N3O7S and a molecular weight of 487.53 g/mol. Its IUPAC name is ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24615653
Molecular FormulaC23H25N3O7S
Molecular Weight487.53 g/mol
Exact Mass487.14
IUPAC Nameethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2ccccc2N(C)S(C)(=O)=O)NC(=O)NC1c1ccccc1
InChIInChI=1S/C23H25N3O7S/c1-4-32-22(28)19-17(24-23(29)25-20(19)15-10-6-5-7-11-15)14-33-21(27)16-12-8-9-13-18(16)26(2)34(3,30)31/h5-13,20H,4,14H2,1-3H3,(H2,24,25,29)
InChIKeyOYIUQEIOIVNQQW-UHFFFAOYSA-N
XLogP2.11
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl (4R)-6-[[2-(methylamino)benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7542716
ethyl 6-[(2-ethoxypyridine-3-carbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4028683
ethyl (4R)-6-[(2-ethoxypyridine-3-carbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41152100
ethyl (4R)-6-[(4-hydroxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7866735
ethyl (4R)-6-[(2-fluoro-4-methoxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41190193
ethyl 6-[(2-chloro-4-fluorobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42987720
ethyl 2-oxo-4-phenyl-6-[(4-phenylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3413116
ethyl 2-oxo-4-phenyl-6-(thiophene-3-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55375163
ethyl 6-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55327175
ethyl (4R)-6-[(2-carbamoylphenoxy)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7534378
ethyl (4R)-6-[(4,5-dibromothiophene-2-carbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98295325
ethyl (4R)-6-(iodomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1109021

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24615653) is ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2ccccc2N(C)S(C)(=O)=O)NC(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is OYIUQEIOIVNQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7S/c1-4-32-22(28)19-17(24-23(29)25-20(19)15-10-6-5-7-11-15)14-33-21(27)16-12-8-9-13-18(16)26(2)34(3,30)31/h5-13,20H,4,14H2,1-3H3,(H2,24,25,29).
What are the key properties of ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 487.53 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24615653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).