propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate

C18H20N2O6S — CID 26864927

IUPACpropyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C18H20N2O6S/c1-3-10-26-18(22)12-4-6-13(7-5-12)20-17(21)15-11-14(27(19,23)24)8-9-16(15)25-2/h4-9,11H,3,10H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyLDXQHINKYWVVEX-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.16
Rot. Bonds7

About propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate

propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate (PubChem CID 26864927) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
PubChem CID26864927
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namepropyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C18H20N2O6S/c1-3-10-26-18(22)12-4-6-13(7-5-12)20-17(21)15-11-14(27(19,23)24)8-9-16(15)25-2/h4-9,11H,3,10H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyLDXQHINKYWVVEX-UHFFFAOYSA-N
XLogP2.16
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
CID 9453672

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate (CID 26864927) is propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1.
What is the InChIKey of propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
The InChIKey is LDXQHINKYWVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-10-26-18(22)12-4-6-13(7-5-12)20-17(21)15-11-14(27(19,23)24)8-9-16(15)25-2/h4-9,11H,3,10H2,1-2H3,(H,20,21)(H2,19,23,24).
What are the key properties of propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate has a molecular weight of 392.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate is sourced from PubChem (CID 26864927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).