methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate

C19H22N2O7S — CID 57401935

IUPACmethyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNS(=O)(=O)c1cc(NC(C)=O)c(OC)cc1OC
InChIInChI=1S/C19H22N2O7S/c1-12(22)21-15-9-18(17(27-3)10-16(15)26-2)29(24,25)20-11-13-7-5-6-8-14(13)19(23)28-4/h5-10,20H,11H2,1-4H3,(H,21,22)
InChIKeyPZYFKJRPNGVDHR-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.93
Rot. Bonds8

About methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate

methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate (PubChem CID 57401935) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
PubChem CID57401935
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Namemethyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNS(=O)(=O)c1cc(NC(C)=O)c(OC)cc1OC
InChIInChI=1S/C19H22N2O7S/c1-12(22)21-15-9-18(17(27-3)10-16(15)26-2)29(24,25)20-11-13-7-5-6-8-14(13)19(23)28-4/h5-10,20H,11H2,1-4H3,(H,21,22)
InChIKeyPZYFKJRPNGVDHR-UHFFFAOYSA-N
XLogP1.93
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(diphenylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
CID 71497194
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
methyl 2-[(4-bromo-3-methoxyanilino)methyl]benzoate
CID 82859884
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-[5-[(4-aminophenyl)-phenylsulfamoyl]-2,4-dimethoxyphenyl]acetamide
CID 71497196
N-[4-methoxy-3-[(3-methoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 31481450
N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
CID 4112051
2-chloro-N-[(2,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 8819063
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate (CID 57401935) is methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate is COC(=O)c1ccccc1CNS(=O)(=O)c1cc(NC(C)=O)c(OC)cc1OC.
What is the InChIKey of methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
The InChIKey is PZYFKJRPNGVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-12(22)21-15-9-18(17(27-3)10-16(15)26-2)29(24,25)20-11-13-7-5-6-8-14(13)19(23)28-4/h5-10,20H,11H2,1-4H3,(H,21,22).
What are the key properties of methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate?
methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate has a molecular weight of 422.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(5-acetamido-2,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 57401935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).