5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C23H19ClN4O5S — CID 19416979

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)ccc1Cl
InChIInChI=1S/C23H19ClN4O5S/c1-15-13-17(5-9-20(15)24)32-14-18-6-10-21(33-18)22(29)27-16-3-7-19(8-4-16)34(30,31)28-23-25-11-2-12-26-23/h2-13H,14H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyHJEOOKLGYMORCZ-UHFFFAOYSA-N
MW498.95 g/mol
LogP4.66
Rot. Bonds8

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19416979) has the molecular formula C23H19ClN4O5S and a molecular weight of 498.95 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID19416979
Molecular FormulaC23H19ClN4O5S
Molecular Weight498.95 g/mol
Exact Mass498.08
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)ccc1Cl
InChIInChI=1S/C23H19ClN4O5S/c1-15-13-17(5-9-20(15)24)32-14-18-6-10-21(33-18)22(29)27-16-3-7-19(8-4-16)34(30,31)28-23-25-11-2-12-26-23/h2-13H,14H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyHJEOOKLGYMORCZ-UHFFFAOYSA-N
XLogP4.66
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416952
5-[(3-methyl-4-nitrophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19461593
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
methyl 4-[[5-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448991
5-[(3,4-dimethylphenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 19450760
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4050771
2-(4-chloro-3-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183039
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19416979) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is Cc1cc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is HJEOOKLGYMORCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5S/c1-15-13-17(5-9-20(15)24)32-14-18-6-10-21(33-18)22(29)27-16-3-7-19(8-4-16)34(30,31)28-23-25-11-2-12-26-23/h2-13H,14H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 498.95 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19416979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).