ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H25N3O7S — CID 4842507

IUPACethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)NC1C
InChIInChI=1S/C19H25N3O7S/c1-5-28-18(24)17-13(4)21-19(25)22-15(17)10-29-16(23)9-20-30(26,27)14-7-6-11(2)12(3)8-14/h6-8,13,20H,5,9-10H2,1-4H3,(H2,21,22,25)
InChIKeyZZSCOULSCYPHAI-UHFFFAOYSA-N
MW439.49 g/mol
LogP0.64
Rot. Bonds8

About ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 4842507) has the molecular formula C19H25N3O7S and a molecular weight of 439.49 g/mol. Its IUPAC name is ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID4842507
Molecular FormulaC19H25N3O7S
Molecular Weight439.49 g/mol
Exact Mass439.14
IUPAC Nameethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)NC1C
InChIInChI=1S/C19H25N3O7S/c1-5-28-18(24)17-13(4)21-19(25)22-15(17)10-29-16(23)9-20-30(26,27)14-7-6-11(2)12(3)8-14/h6-8,13,20H,5,9-10H2,1-4H3,(H2,21,22,25)
InChIKeyZZSCOULSCYPHAI-UHFFFAOYSA-N
XLogP0.64
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 6-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55320198
ethyl (4R)-6-[[2-[(4-chlorobenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7899220
ethyl 4-methyl-6-[[4-[(4-methylphenyl)sulfamoyl]benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55313663
ethyl (4S)-4-methyl-2-oxo-6-[(2-thiophen-3-ylacetyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7765522
ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11918476
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
ethyl (4R)-4-methyl-2-oxo-6-[(4-oxo-4-phenylbutanoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 9467887
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234574
ethyl (4R)-4-methyl-6-[3-(2-methylphenoxy)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7841861
ethyl (4R)-4-methyl-6-[(4-nitrobenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7859457
ethyl (4R)-6-[(2,3-dimethylbenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7765228
ethyl (4S)-6-[[4-(4-chlorophenyl)-4-oxobutanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7750914

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 4842507) is ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)NC1C.
What is the InChIKey of ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is ZZSCOULSCYPHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7S/c1-5-28-18(24)17-13(4)21-19(25)22-15(17)10-29-16(23)9-20-30(26,27)14-7-6-11(2)12(3)8-14/h6-8,13,20H,5,9-10H2,1-4H3,(H2,21,22,25).
What are the key properties of ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 4842507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).