methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate

C20H24N2O6S — CID 18109760

IUPACmethyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCC(=O)OC)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-28-17-10-8-16(9-11-17)22-29(25,26)18-12-6-15(7-13-18)20(24)21-14-4-5-19(23)27-2/h6-13,22H,3-5,14H2,1-2H3,(H,21,24)
InChIKeySIDFBRMPQODEML-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.57
Rot. Bonds10

About methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate

methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate (PubChem CID 18109760) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
PubChem CID18109760
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Namemethyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCC(=O)OC)cc2)cc1
InChIInChI=1S/C20H24N2O6S/c1-3-28-17-10-8-16(9-11-17)22-29(25,26)18-12-6-15(7-13-18)20(24)21-14-4-5-19(23)27-2/h6-13,22H,3-5,14H2,1-2H3,(H,21,24)
InChIKeySIDFBRMPQODEML-UHFFFAOYSA-N
XLogP2.57
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
4-[(4-ethoxyphenyl)sulfonylamino]-N-[3-oxo-3-(prop-2-ynylamino)propyl]benzamide
CID 55362498
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55854015
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 55513753
4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55394943
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
The IUPAC name of methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate (CID 18109760) is methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
The canonical SMILES for methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
The InChIKey is SIDFBRMPQODEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-3-28-17-10-8-16(9-11-17)22-29(25,26)18-12-6-15(7-13-18)20(24)21-14-4-5-19(23)27-2/h6-13,22H,3-5,14H2,1-2H3,(H,21,24).
What are the key properties of methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate has a molecular weight of 420.49 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate is sourced from PubChem (CID 18109760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).