propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate

C20H23NO5S — CID 17224802

IUPACpropyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)CCC)cc1
InChIInChI=1S/C20H23NO5S/c1-3-13-26-20(23)15-9-11-16(12-10-15)21-19(22)17-7-5-6-8-18(17)27(24,25)14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyUWFPAICUKJZFDC-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.69
Rot. Bonds8

About propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate

propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate (PubChem CID 17224802) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
PubChem CID17224802
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Namepropyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)CCC)cc1
InChIInChI=1S/C20H23NO5S/c1-3-13-26-20(23)15-9-11-16(12-10-15)21-19(22)17-7-5-6-8-18(17)27(24,25)14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)
InChIKeyUWFPAICUKJZFDC-UHFFFAOYSA-N
XLogP3.69
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(4-ethylphenyl)-2-ethylsulfonylbenzamide
CID 16604948
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
dimethyl 2-[(2-propylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 17224739
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
propyl 2-[(4-chlorophenyl)carbamoyl]benzoate
CID 71387076
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate (CID 17224802) is propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)CCC)cc1.
What is the InChIKey of propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate?
The InChIKey is UWFPAICUKJZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-3-13-26-20(23)15-9-11-16(12-10-15)21-19(22)17-7-5-6-8-18(17)27(24,25)14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22).
What are the key properties of propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate?
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate has a molecular weight of 389.47 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 17224802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).