methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate

C21H20N2O6S — CID 43069694

IUPACmethyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O6S/c1-13-18(21(25)28-3)19(14(2)29-13)30(26,27)23-17-12-8-7-11-16(17)20(24)22-15-9-5-4-6-10-15/h4-12,23H,1-3H3,(H,22,24)
InChIKeyONMNHUMWUSFPMB-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.74
Rot. Bonds6

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

methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate (PubChem CID 43069694) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate
PubChem CID43069694
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Namemethyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O6S/c1-13-18(21(25)28-3)19(14(2)29-13)30(26,27)23-17-12-8-7-11-16(17)20(24)22-15-9-5-4-6-10-15/h4-12,23H,1-3H3,(H,22,24)
InChIKeyONMNHUMWUSFPMB-UHFFFAOYSA-N
XLogP3.74
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 43069696
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 43069695
2-[(2,6-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 29425469
methyl 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 112822553
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 112846167
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate (CID 43069694) is methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate?
The InChIKey is ONMNHUMWUSFPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c1-13-18(21(25)28-3)19(14(2)29-13)30(26,27)23-17-12-8-7-11-16(17)20(24)22-15-9-5-4-6-10-15/h4-12,23H,1-3H3,(H,22,24).
What are the key properties of methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate?
methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 43069694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).