methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate

C20H24N2O7S — CID 46637244

IUPACmethyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24N2O7S/c1-21-30(25,26)15-7-5-6-14(10-15)20(24)22-16(12-19(23)29-4)13-8-9-17(27-2)18(11-13)28-3/h5-11,16,21H,12H2,1-4H3,(H,22,24)
InChIKeyKGTUCQQXBIAGPQ-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.65
Rot. Bonds9

About methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate

methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate (PubChem CID 46637244) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
PubChem CID46637244
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24N2O7S/c1-21-30(25,26)15-7-5-6-14(10-15)20(24)22-16(12-19(23)29-4)13-8-9-17(27-2)18(11-13)28-3/h5-11,16,21H,12H2,1-4H3,(H,22,24)
InChIKeyKGTUCQQXBIAGPQ-UHFFFAOYSA-N
XLogP1.65
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate with MolForge

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Related Compounds

N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 100624134
methyl 3-(3,4-dimethoxyphenyl)-3-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]propanoate
CID 46438353
methyl (3R)-3-(3-bromophenyl)-3-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 52908538
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]propanoate
CID 46597144
propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 46483453
methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119274269
methyl 3-(2H-benzotriazole-5-carbonylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 17425922
methyl 3-(3,4-dimethoxyphenyl)-3-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]propanoate
CID 55490451
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930
methyl 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate
CID 17439253

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate (CID 46637244) is methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate is CNS(=O)(=O)c1cccc(C(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate?
The InChIKey is KGTUCQQXBIAGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-21-30(25,26)15-7-5-6-14(10-15)20(24)22-16(12-19(23)29-4)13-8-9-17(27-2)18(11-13)28-3/h5-11,16,21H,12H2,1-4H3,(H,22,24).
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate?
methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate has a molecular weight of 436.49 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 46637244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).