ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate

C23H22N2O7S — CID 19260029

IUPACethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N(CC)c4ccccc4)ccc32)o1
InChIInChI=1S/C23H22N2O7S/c1-3-25(16-8-6-5-7-9-16)33(28,29)18-11-12-19-21(14-18)32-23(27)24(19)15-17-10-13-20(31-17)22(26)30-4-2/h5-14H,3-4,15H2,1-2H3
InChIKeyRDVSAZSIFQWEQN-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.63
Rot. Bonds8

About ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate

ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate (PubChem CID 19260029) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate
PubChem CID19260029
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Nameethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N(CC)c4ccccc4)ccc32)o1
InChIInChI=1S/C23H22N2O7S/c1-3-25(16-8-6-5-7-9-16)33(28,29)18-11-12-19-21(14-18)32-23(27)24(19)15-17-10-13-20(31-17)22(26)30-4-2/h5-14H,3-4,15H2,1-2H3
InChIKeyRDVSAZSIFQWEQN-UHFFFAOYSA-N
XLogP3.63
TPSA111.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]-N,N-dimethylacetamide
CID 19259989
ethyl 2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 6619734
methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2587918
2-[6-[benzyl(methyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 19259934
N-benzyl-3-methyl-N-(3-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 39983419
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
methyl 2-[6-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051865
ethyl 5-[[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]methyl]furan-2-carboxylate
CID 86782844
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
N-benzyl-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 6622150
3-[(2,4-dichlorophenyl)methyl]-N,N-diethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 19259716

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate (CID 19260029) is ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(Cn2c(=O)oc3cc(S(=O)(=O)N(CC)c4ccccc4)ccc32)o1.
What is the InChIKey of ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate?
The InChIKey is RDVSAZSIFQWEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-3-25(16-8-6-5-7-9-16)33(28,29)18-11-12-19-21(14-18)32-23(27)24(19)15-17-10-13-20(31-17)22(26)30-4-2/h5-14H,3-4,15H2,1-2H3.
What are the key properties of ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate?
ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate has a molecular weight of 470.50 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[6-[ethyl(phenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 19260029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).