(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

C23H23NO6S — CID 16619379

IUPAC(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOc1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1
InChIInChI=1S/C23H23NO6S/c1-16-7-10-19(11-8-16)24-31(26,27)22-14-18(9-12-21(22)29-3)23(25)30-15-17-5-4-6-20(13-17)28-2/h4-14,24H,15H2,1-3H3
InChIKeyHSEXWUQJAVSTTQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.17
Rot. Bonds8

About (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 16619379) has the molecular formula C23H23NO6S and a molecular weight of 441.51 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID16619379
Molecular FormulaC23H23NO6S
Molecular Weight441.51 g/mol
Exact Mass441.12
IUPAC Name(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOc1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1
InChIInChI=1S/C23H23NO6S/c1-16-7-10-19(11-8-16)24-31(26,27)22-14-18(9-12-21(22)29-3)23(25)30-15-17-5-4-6-20(13-17)28-2/h4-14,24H,15H2,1-3H3
InChIKeyHSEXWUQJAVSTTQ-UHFFFAOYSA-N
XLogP4.17
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 16569929
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 55398336
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
(3-methoxycarbonylphenyl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700570
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate (CID 16619379) is (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate is COc1cccc(COC(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is HSEXWUQJAVSTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6S/c1-16-7-10-19(11-8-16)24-31(26,27)22-14-18(9-12-21(22)29-3)23(25)30-15-17-5-4-6-20(13-17)28-2/h4-14,24H,15H2,1-3H3.
What are the key properties of (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 441.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16619379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).