(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

C23H23NO5S — CID 18205883

IUPAC(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2cccc(C)c2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-7-6-8-18(15-17)16-29-23(25)19-11-13-20(14-12-19)30(26,27)24(2)21-9-4-5-10-22(21)28-3/h4-15H,16H2,1-3H3
InChIKeyXDOFKFUQMRRHCL-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.19
Rot. Bonds7

About (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate

(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 18205883) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID18205883
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2cccc(C)c2)cc1
InChIInChI=1S/C23H23NO5S/c1-17-7-6-8-18(15-17)16-29-23(25)19-11-13-20(14-12-19)30(26,27)24(2)21-9-4-5-10-22(21)28-3/h4-15H,16H2,1-3H3
InChIKeyXDOFKFUQMRRHCL-UHFFFAOYSA-N
XLogP4.19
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317217
(2-methyl-1,3-thiazol-4-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595353
[2-(N-methylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2434865
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
(2-butoxy-2-oxoethyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16569078
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
[(2S)-1-amino-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2595340
(5-phenyl-1,3-oxazol-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 16532904
[2-(3-acetylanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 55317196
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2102229

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate (CID 18205883) is (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCc2cccc(C)c2)cc1.
What is the InChIKey of (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is XDOFKFUQMRRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-17-7-6-8-18(15-17)16-29-23(25)19-11-13-20(14-12-19)30(26,27)24(2)21-9-4-5-10-22(21)28-3/h4-15H,16H2,1-3H3.
What are the key properties of (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate?
(3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 425.51 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 18205883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).