methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate

C24H25NO5S — CID 58937149

IUPACmethyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OCc3cc(C)cc(C)c3)cc2)ccc1C
InChIInChI=1S/C24H25NO5S/c1-16-11-17(2)13-19(12-16)15-30-21-8-6-20(7-9-21)25-31(27,28)22-10-5-18(3)23(14-22)24(26)29-4/h5-14,25H,15H2,1-4H3
InChIKeyUTGDBMLMKVTVIB-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.78
Rot. Bonds7

About methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate

methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate (PubChem CID 58937149) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
PubChem CID58937149
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Namemethyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OCc3cc(C)cc(C)c3)cc2)ccc1C
InChIInChI=1S/C24H25NO5S/c1-16-11-17(2)13-19(12-16)15-30-21-8-6-20(7-9-21)25-31(27,28)22-10-5-18(3)23(14-22)24(26)29-4/h5-14,25H,15H2,1-4H3
InChIKeyUTGDBMLMKVTVIB-UHFFFAOYSA-N
XLogP4.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-5-[[4-(4-propoxyphenyl)phenyl]sulfamoyl]benzoate
CID 58937229
5-[[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937182
methyl 5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methylbenzoate
CID 95971299
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
N-(4-methoxyphenyl)-4-methyl-3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 55350821
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 27620814
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate (CID 58937149) is methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCc3cc(C)cc(C)c3)cc2)ccc1C.
What is the InChIKey of methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate?
The InChIKey is UTGDBMLMKVTVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-16-11-17(2)13-19(12-16)15-30-21-8-6-20(7-9-21)25-31(27,28)22-10-5-18(3)23(14-22)24(26)29-4/h5-14,25H,15H2,1-4H3.
What are the key properties of methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate?
methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate has a molecular weight of 439.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 58937149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).