ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

C19H20N4O7S — CID 55569452

IUPACethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(C)c(S(N)(=O)=O)c3)nc(N)c12
InChIInChI=1S/C19H20N4O7S/c1-4-28-19(25)14-10(3)30-17-15(14)16(20)22-13(23-17)8-29-18(24)11-6-5-9(2)12(7-11)31(21,26)27/h5-7H,4,8H2,1-3H3,(H2,20,22,23)(H2,21,26,27)
InChIKeyLTPZTHKIQRJBHD-UHFFFAOYSA-N
MW448.46 g/mol
LogP1.60
Rot. Bonds6

About ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 55569452) has the molecular formula C19H20N4O7S and a molecular weight of 448.46 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID55569452
Molecular FormulaC19H20N4O7S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC Nameethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(C)c(S(N)(=O)=O)c3)nc(N)c12
InChIInChI=1S/C19H20N4O7S/c1-4-28-19(25)14-10(3)30-17-15(14)16(20)22-13(23-17)8-29-18(24)11-6-5-9(2)12(7-11)31(21,26)27/h5-7H,4,8H2,1-3H3,(H2,20,22,23)(H2,21,26,27)
InChIKeyLTPZTHKIQRJBHD-UHFFFAOYSA-N
XLogP1.60
TPSA177.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 55569452) is ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(C)c(S(N)(=O)=O)c3)nc(N)c12.
What is the InChIKey of ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is LTPZTHKIQRJBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7S/c1-4-28-19(25)14-10(3)30-17-15(14)16(20)22-13(23-17)8-29-18(24)11-6-5-9(2)12(7-11)31(21,26)27/h5-7H,4,8H2,1-3H3,(H2,20,22,23)(H2,21,26,27).
What are the key properties of ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 448.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 55569452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).