methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate

C22H21NO7S — CID 2587918

IUPACmethyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)OC)o2)cc1
InChIInChI=1S/C22H21NO7S/c1-3-23(17-7-5-4-6-8-17)31(26,27)19-12-9-16(10-13-19)21(24)29-15-18-11-14-20(30-18)22(25)28-2/h4-14H,3,15H2,1-2H3
InChIKeyIPQBTZLZDAYIDD-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.64
Rot. Bonds8

About methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate

methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate (PubChem CID 2587918) has the molecular formula C22H21NO7S and a molecular weight of 443.48 g/mol. Its IUPAC name is methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
PubChem CID2587918
Molecular FormulaC22H21NO7S
Molecular Weight443.48 g/mol
Exact Mass443.10
IUPAC Namemethyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)OC)o2)cc1
InChIInChI=1S/C22H21NO7S/c1-3-23(17-7-5-4-6-8-17)31(26,27)19-12-9-16(10-13-19)21(24)29-15-18-11-14-20(30-18)22(25)28-2/h4-14H,3,15H2,1-2H3
InChIKeyIPQBTZLZDAYIDD-UHFFFAOYSA-N
XLogP3.64
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2647341
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587769
[2-(benzylamino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588136
methyl 5-[[2-chloro-5-[methyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2577257
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587682
[2-(2-cyanoanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2497071
methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
CID 2671799
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
[2-(4-fluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588139
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2584776

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate (CID 2587918) is methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccc(C(=O)OC)o2)cc1.
What is the InChIKey of methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is IPQBTZLZDAYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO7S/c1-3-23(17-7-5-4-6-8-17)31(26,27)19-12-9-16(10-13-19)21(24)29-15-18-11-14-20(30-18)22(25)28-2/h4-14H,3,15H2,1-2H3.
What are the key properties of methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate?
methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 443.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 2587918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).