methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate

C24H20N4O7S — CID 19448991

IUPACmethyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1
InChIInChI=1S/C24H20N4O7S/c1-33-23(30)16-3-7-18(8-4-16)34-15-19-9-12-21(35-19)22(29)27-17-5-10-20(11-6-17)36(31,32)28-24-25-13-2-14-26-24/h2-14H,15H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyGIMQZEBJDPSLFP-UHFFFAOYSA-N
MW508.51 g/mol
LogP3.49
Rot. Bonds9

About methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19448991) has the molecular formula C24H20N4O7S and a molecular weight of 508.51 g/mol. Its IUPAC name is methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19448991
Molecular FormulaC24H20N4O7S
Molecular Weight508.51 g/mol
Exact Mass508.11
IUPAC Namemethyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1
InChIInChI=1S/C24H20N4O7S/c1-33-23(30)16-3-7-18(8-4-16)34-15-19-9-12-21(35-19)22(29)27-17-5-10-20(11-6-17)36(31,32)28-24-25-13-2-14-26-24/h2-14H,15H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyGIMQZEBJDPSLFP-UHFFFAOYSA-N
XLogP3.49
TPSA149.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413705
5-[(4-bromophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413497
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19461593
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446559
5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19455196
5-(naphthalen-1-yloxymethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19412861
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565
5-[(3,4-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19450760
5-[(4-methylphenoxy)methyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 36706973
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451127

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate (CID 19448991) is methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)cc1.
What is the InChIKey of methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is GIMQZEBJDPSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O7S/c1-33-23(30)16-3-7-18(8-4-16)34-15-19-9-12-21(35-19)22(29)27-17-5-10-20(11-6-17)36(31,32)28-24-25-13-2-14-26-24/h2-14H,15H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 508.51 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19448991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).