(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

C25H25NO7S — CID 43004687

IUPAC(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C25H25NO7S/c1-16-5-9-21(10-6-16)26-34(29,30)24-14-19(8-12-23(24)32-4)25(28)33-15-20-13-18(17(2)27)7-11-22(20)31-3/h5-14,26H,15H2,1-4H3
InChIKeyOLIGQNNMBUEPNZ-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.37
Rot. Bonds9

About (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate

(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 43004687) has the molecular formula C25H25NO7S and a molecular weight of 483.54 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID43004687
Molecular FormulaC25H25NO7S
Molecular Weight483.54 g/mol
Exact Mass483.14
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C25H25NO7S/c1-16-5-9-21(10-6-16)26-34(29,30)24-14-19(8-12-23(24)32-4)25(28)33-15-20-13-18(17(2)27)7-11-22(20)31-3/h5-14,26H,15H2,1-4H3
InChIKeyOLIGQNNMBUEPNZ-UHFFFAOYSA-N
XLogP4.37
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 16619379
(5-acetyl-2-methoxyphenyl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 35808878
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 55398336
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 41425118
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
ethyl 2-[[4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56548086
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 55304491

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate (CID 43004687) is (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate is COc1ccc(C(C)=O)cc1COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is OLIGQNNMBUEPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO7S/c1-16-5-9-21(10-6-16)26-34(29,30)24-14-19(8-12-23(24)32-4)25(28)33-15-20-13-18(17(2)27)7-11-22(20)31-3/h5-14,26H,15H2,1-4H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate?
(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 483.54 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43004687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).