methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate

C26H28N2O6S — CID 55513753

IUPACmethyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CCC(=O)OC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O6S/c1-3-34-23-13-11-22(12-14-23)27-35(31,32)24-15-9-21(10-16-24)26(30)28(18-17-25(29)33-2)19-20-7-5-4-6-8-20/h4-16,27H,3,17-19H2,1-2H3
InChIKeyZCMWJDXWXCAMRJ-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.09
Rot. Bonds11

About methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate

methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate (PubChem CID 55513753) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
PubChem CID55513753
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC Namemethyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CCC(=O)OC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N2O6S/c1-3-34-23-13-11-22(12-14-23)27-35(31,32)24-15-9-21(10-16-24)26(30)28(18-17-25(29)33-2)19-20-7-5-4-6-8-20/h4-16,27H,3,17-19H2,1-2H3
InChIKeyZCMWJDXWXCAMRJ-UHFFFAOYSA-N
XLogP4.09
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
methyl 3-[benzyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55513252
methyl 4-[[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109760
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
methyl 2-[4-[[N-benzylsulfonyl-4-[(4-ethoxyphenyl)sulfonylamino]anilino]methyl]-N-ethylsulfonylanilino]acetate
CID 122196290
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24655921
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
4-ethoxy-N-[4-[[(2-phenylmethoxyacetyl)amino]carbamoyl]phenyl]benzenesulfonamide
CID 55359716
4-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134063378

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate (CID 55513753) is methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N(CCC(=O)OC)Cc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate?
The InChIKey is ZCMWJDXWXCAMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c1-3-34-23-13-11-22(12-14-23)27-35(31,32)24-15-9-21(10-16-24)26(30)28(18-17-25(29)33-2)19-20-7-5-4-6-8-20/h4-16,27H,3,17-19H2,1-2H3.
What are the key properties of methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate?
methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate has a molecular weight of 496.59 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate is sourced from PubChem (CID 55513753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).