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

C17H18N2O6S — CID 4851180

IUPACethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C17H18N2O6S/c1-3-25-17(21)11-4-6-12(7-5-11)19-16(20)14-10-13(26(18,22)23)8-9-15(14)24-2/h4-10H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
InChIKeyHADNIVIFYWMREL-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.77
Rot. Bonds6

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

ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate (PubChem CID 4851180) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
PubChem CID4851180
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Nameethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C17H18N2O6S/c1-3-25-17(21)11-4-6-12(7-5-11)19-16(20)14-10-13(26(18,22)23)8-9-15(14)24-2/h4-10H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
InChIKeyHADNIVIFYWMREL-UHFFFAOYSA-N
XLogP1.77
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
CID 9453672
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
ethyl 4-[(3,5-dimethoxy-4-methylbenzoyl)amino]benzoate
CID 2677147
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
ethyl 4-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]benzoate
CID 50812484

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate (CID 4851180) is ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1.
What is the InChIKey of ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
The InChIKey is HADNIVIFYWMREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-3-25-17(21)11-4-6-12(7-5-11)19-16(20)14-10-13(26(18,22)23)8-9-15(14)24-2/h4-10H,3H2,1-2H3,(H,19,20)(H2,18,22,23).
What are the key properties of ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate?
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate has a molecular weight of 378.41 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate is sourced from PubChem (CID 4851180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).