methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate

C18H20N2O5S — CID 109061963

IUPACmethyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-10-19-26(23,24)16-9-5-6-13(12-16)17(21)20-15-8-4-7-14(11-15)18(22)25-2/h4-9,11-12,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyAEBDCYPBBMSTKF-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.41
Rot. Bonds7

About methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate

methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 109061963) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
PubChem CID109061963
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-10-19-26(23,24)16-9-5-6-13(12-16)17(21)20-15-8-4-7-14(11-15)18(22)25-2/h4-9,11-12,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyAEBDCYPBBMSTKF-UHFFFAOYSA-N
XLogP2.41
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061918
3-(2-methoxyethylsulfamoyl)-N-(3-methoxyphenyl)benzamide
CID 55565688
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
3-(propylsulfamoyl)benzoic acid
CID 2442822
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate (CID 109061963) is methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate is CCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is AEBDCYPBBMSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-10-19-26(23,24)16-9-5-6-13(12-16)17(21)20-15-8-4-7-14(11-15)18(22)25-2/h4-9,11-12,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate?
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109061963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).