ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate

C24H33NO7S — CID 5103999

IUPACethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCN(Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H33NO7S/c1-8-32-22(26)9-10-25(33(27,28)24-17(3)11-16(2)12-18(24)4)15-19-13-20(29-5)23(31-7)21(14-19)30-6/h11-14H,8-10,15H2,1-7H3
InChIKeyIEMCLLLSWWBZKX-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.78
Rot. Bonds11

About ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate

ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate (PubChem CID 5103999) has the molecular formula C24H33NO7S and a molecular weight of 479.60 g/mol. Its IUPAC name is ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate
PubChem CID5103999
Molecular FormulaC24H33NO7S
Molecular Weight479.60 g/mol
Exact Mass479.20
IUPAC Nameethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)CCN(Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H33NO7S/c1-8-32-22(26)9-10-25(33(27,28)24-17(3)11-16(2)12-18(24)4)15-19-13-20(29-5)23(31-7)21(14-19)30-6/h11-14H,8-10,15H2,1-7H3
InChIKeyIEMCLLLSWWBZKX-UHFFFAOYSA-N
XLogP3.78
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

ethyl 3-[(4-bromophenyl)sulfonyl-[(3,4-dimethoxyphenyl)methyl]amino]propanoate
CID 4639234
ethyl 7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoate
CID 24727690
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 124545753
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
ethyl 3-[(3-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]propanoate
CID 118139434
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
N-[(2-methoxyphenyl)methyl]-2,4,6-trimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319214
methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 3101202
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
CID 43174180
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate (CID 5103999) is ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate is CCOC(=O)CCN(Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate?
The InChIKey is IEMCLLLSWWBZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO7S/c1-8-32-22(26)9-10-25(33(27,28)24-17(3)11-16(2)12-18(24)4)15-19-13-20(29-5)23(31-7)21(14-19)30-6/h11-14H,8-10,15H2,1-7H3.
What are the key properties of ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate?
ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate has a molecular weight of 479.60 g/mol, XLogP of 3.78, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3,4,5-trimethoxyphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 5103999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).