(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

C21H27NO6S — CID 7753719

IUPAC(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCOc1cc(C)c(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1OC
InChIInChI=1S/C21H27NO6S/c1-14(2)22(4)29(24,25)18-9-7-8-16(11-18)21(23)28-13-17-12-20(27-6)19(26-5)10-15(17)3/h7-12,14H,13H2,1-6H3
InChIKeyAHAMDHYLOPKIKU-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.40
Rot. Bonds8

About (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 7753719) has the molecular formula C21H27NO6S and a molecular weight of 421.52 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID7753719
Molecular FormulaC21H27NO6S
Molecular Weight421.52 g/mol
Exact Mass421.16
IUPAC Name(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCOc1cc(C)c(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1OC
InChIInChI=1S/C21H27NO6S/c1-14(2)22(4)29(24,25)18-9-7-8-16(11-18)21(23)28-13-17-12-20(27-6)19(26-5)10-15(17)3/h7-12,14H,13H2,1-6H3
InChIKeyAHAMDHYLOPKIKU-UHFFFAOYSA-N
XLogP3.40
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753628
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 46544000
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753604
(4,5-dimethoxy-2-methylphenyl)methyl 3-bromobenzoate
CID 7663223
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 55392050
2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753616
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753772
2-(4-ethoxyphenoxy)ethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753630
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (CID 7753719) is (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is COc1cc(C)c(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is AHAMDHYLOPKIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6S/c1-14(2)22(4)29(24,25)18-9-7-8-16(11-18)21(23)28-13-17-12-20(27-6)19(26-5)10-15(17)3/h7-12,14H,13H2,1-6H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 421.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 7753719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).