methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate

C19H22N2O5S — CID 39869765

IUPACmethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(C)=O
InChIInChI=1S/C19H22N2O5S/c1-4-21(14(2)22)13-16-7-5-6-8-18(16)20-27(24,25)17-11-9-15(10-12-17)19(23)26-3/h5-12,20H,4,13H2,1-3H3
InChIKeyMZLZZBMWHNCTAO-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.64
Rot. Bonds7

About methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate

methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate (PubChem CID 39869765) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
PubChem CID39869765
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate
SMILESCCN(Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(C)=O
InChIInChI=1S/C19H22N2O5S/c1-4-21(14(2)22)13-16-7-5-6-8-18(16)20-27(24,25)17-11-9-15(10-12-17)19(23)26-3/h5-12,20H,4,13H2,1-3H3
InChIKeyMZLZZBMWHNCTAO-UHFFFAOYSA-N
XLogP2.64
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[[4-(cyclohexylmethoxy)phenyl]sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532191
ethyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]-3-bromobenzoate
CID 39869856
N-ethyl-N-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 39869500
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
N-[[2-[(3-chloro-2-fluorophenyl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 60532304
N-ethyl-N-[[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
CID 47062885
methyl 4-[[[2-[(4-chlorophenyl)sulfonylamino]phenyl]methylamino]methyl]benzoate
CID 139608864
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
methyl 4-[[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]sulfamoyl]benzoate
CID 90563586
N-ethyl-N-[[2-[[(Z)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 94619751
N-ethyl-N-[[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]phenyl]methyl]acetamide
CID 47062882
methyl 3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]sulfamoyl]benzoate
CID 36575546

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate (CID 39869765) is methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate is CCN(Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1)C(C)=O.
What is the InChIKey of methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate?
The InChIKey is MZLZZBMWHNCTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-21(14(2)22)13-16-7-5-6-8-18(16)20-27(24,25)17-11-9-15(10-12-17)19(23)26-3/h5-12,20H,4,13H2,1-3H3.
What are the key properties of methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate?
methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[[acetyl(ethyl)amino]methyl]phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 39869765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).