methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate

C18H19N3O5S — CID 167852229

IUPACmethyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C18H19N3O5S/c1-11-10-15(21(19-11)14-8-6-5-7-9-14)20-27(23,24)17-13(3)26-12(2)16(17)18(22)25-4/h5-10,20H,1-4H3
InChIKeyNGIZVQXWVHXJLQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.98
Rot. Bonds5

About methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate

methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate (PubChem CID 167852229) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate
PubChem CID167852229
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Namemethyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C18H19N3O5S/c1-11-10-15(21(19-11)14-8-6-5-7-9-14)20-27(23,24)17-13(3)26-12(2)16(17)18(22)25-4/h5-10,20H,1-4H3
InChIKeyNGIZVQXWVHXJLQ-UHFFFAOYSA-N
XLogP2.98
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-methyl-5-{[(1-methyl-1H-indazol-3-yl)amino]sulfonyl}-3-furoate
CID 2809471
methyl 5-{[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]sulfonyl}-2-methyl-3-furoate
CID 2809472
Methyl 2,5-dimethyl-4-[[1-methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]sulfamoyl]furan-3-carboxylate
CID 2812006
methyl 2,5-dimethyl-4-[propyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]sulfamoyl]furan-3-carboxylate
CID 99800547
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-(difluoromethyl)furan-2-sulfonamide
CID 167827040
4-[4-[[3-[[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]piperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylic acid
CID 17988299
4-[4-[[2-[[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]piperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylic acid
CID 17988536
Methyl 4-[[3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-2,5-dimethylfuran-3-carboxylate
CID 68823588
Methyl 4-[[3-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]-2,5-dimethylfuran-3-carboxylate
CID 68823650
Methyl 4-[4-[[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]piperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 68823831
Methyl 4-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]piperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 68824153
Methyl 4-[4-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]piperidin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 68872982

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate (CID 167852229) is methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)nn1-c1ccccc1.
What is the InChIKey of methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
The InChIKey is NGIZVQXWVHXJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-11-10-15(21(19-11)14-8-6-5-7-9-14)20-27(23,24)17-13(3)26-12(2)16(17)18(22)25-4/h5-10,20H,1-4H3.
What are the key properties of methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate?
methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 167852229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).