5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C21H20N6O4S — CID 19466051

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)n1
InChIInChI=1S/C21H20N6O4S/c1-14-12-15(2)27(25-14)13-17-6-9-19(31-17)20(28)24-16-4-7-18(8-5-16)32(29,30)26-21-22-10-3-11-23-21/h3-12H,13H2,1-2H3,(H,24,28)(H,22,23,26)
InChIKeyCZTZSZBMLQEADW-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.98
Rot. Bonds7

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19466051) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID19466051
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)n1
InChIInChI=1S/C21H20N6O4S/c1-14-12-15(2)27(25-14)13-17-6-9-19(31-17)20(28)24-16-4-7-18(8-5-16)32(29,30)26-21-22-10-3-11-23-21/h3-12H,13H2,1-2H3,(H,24,28)(H,22,23,26)
InChIKeyCZTZSZBMLQEADW-UHFFFAOYSA-N
XLogP2.98
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
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-methyl-4-nitrophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19461593
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(2,4-dichlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19456853
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
5-(naphthalen-1-yloxymethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19412861
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19467777

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19466051) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is CZTZSZBMLQEADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-14-12-15(2)27(25-14)13-17-6-9-19(31-17)20(28)24-16-4-7-18(8-5-16)32(29,30)26-21-22-10-3-11-23-21/h3-12H,13H2,1-2H3,(H,24,28)(H,22,23,26).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19466051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).