methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate

C19H22N2O6S — CID 18109757

IUPACmethyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-26-16-10-8-15(9-11-16)21-28(24,25)17-6-3-5-14(13-17)19(23)20-12-4-7-18(22)27-2/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3,(H,20,23)
InChIKeyHOXQWXALNZTMSY-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.18
Rot. Bonds9

About methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate

methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate (PubChem CID 18109757) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
PubChem CID18109757
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namemethyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O6S/c1-26-16-10-8-15(9-11-16)21-28(24,25)17-6-3-5-14(13-17)19(23)20-12-4-7-18(22)27-2/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3,(H,20,23)
InChIKeyHOXQWXALNZTMSY-UHFFFAOYSA-N
XLogP2.18
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.18
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

3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
The IUPAC name of methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate (CID 18109757) is methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate.
What is the SMILES notation for methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
The canonical SMILES for methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate is COC(=O)CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
The InChIKey is HOXQWXALNZTMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-26-16-10-8-15(9-11-16)21-28(24,25)17-6-3-5-14(13-17)19(23)20-12-4-7-18(22)27-2/h3,5-6,8-11,13,21H,4,7,12H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate?
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate has a molecular weight of 406.46 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate is sourced from PubChem (CID 18109757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).