methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C22H22N2O7S — CID 43069696

IUPACmethyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C22H22N2O7S/c1-13-19(22(26)30-4)20(14(2)31-13)32(27,28)24-16-10-6-5-9-15(16)21(25)23-17-11-7-8-12-18(17)29-3/h5-12,24H,1-4H3,(H,23,25)
InChIKeyYHYZRYJWHIPFTJ-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.74
Rot. Bonds7

About methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 43069696) has the molecular formula C22H22N2O7S and a molecular weight of 458.49 g/mol. Its IUPAC name is methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID43069696
Molecular FormulaC22H22N2O7S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Namemethyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C22H22N2O7S/c1-13-19(22(26)30-4)20(14(2)31-13)32(27,28)24-16-10-6-5-9-15(16)21(25)23-17-11-7-8-12-18(17)29-3/h5-12,24H,1-4H3,(H,23,25)
InChIKeyYHYZRYJWHIPFTJ-UHFFFAOYSA-N
XLogP3.74
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate
CID 43069694
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 43069695
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 24650659
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
methyl 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 112822553
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 43069696) is methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1OC.
What is the InChIKey of methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is YHYZRYJWHIPFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7S/c1-13-19(22(26)30-4)20(14(2)31-13)32(27,28)24-16-10-6-5-9-15(16)21(25)23-17-11-7-8-12-18(17)29-3/h5-12,24H,1-4H3,(H,23,25).
What are the key properties of methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 458.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 43069696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).