ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate

C15H22N2O7S — CID 7618819

IUPACethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)CCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O7S/c1-4-24-14(18)10-17-25(20,21)8-7-16-15(19)11-5-6-12(22-2)13(9-11)23-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyAIXMHHLXBIJDRC-UHFFFAOYSA-N
MW374.42 g/mol
LogP-0.08
Rot. Bonds10

About ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate

ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate (PubChem CID 7618819) has the molecular formula C15H22N2O7S and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
PubChem CID7618819
Molecular FormulaC15H22N2O7S
Molecular Weight374.42 g/mol
Exact Mass374.11
IUPAC Nameethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate
SMILESCCOC(=O)CNS(=O)(=O)CCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H22N2O7S/c1-4-24-14(18)10-17-25(20,21)8-7-16-15(19)11-5-6-12(22-2)13(9-11)23-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,16,19)
InChIKeyAIXMHHLXBIJDRC-UHFFFAOYSA-N
XLogP-0.08
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dimethoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 7618935
ethyl 2-(2-benzamidoethylsulfonylamino)acetate
CID 7600976
N-[2-[2-(dimethylamino)ethylsulfamoyl]ethyl]-3,4-dimethoxybenzamide
CID 7618827
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 7618911
3,4-dimethoxy-N-[2-[(3-methoxyphenyl)methylsulfamoyl]ethyl]benzamide
CID 7618936
3,4-dimethoxy-N-[2-[2-(3-methoxyphenyl)ethylsulfamoyl]ethyl]benzamide
CID 7618938
N-[2-(cyclohexylsulfamoyl)ethyl]-3,4-dimethoxybenzamide
CID 7618852
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate?
The IUPAC name of ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate (CID 7618819) is ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate?
The canonical SMILES for ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate is CCOC(=O)CNS(=O)(=O)CCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate?
The InChIKey is AIXMHHLXBIJDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7S/c1-4-24-14(18)10-17-25(20,21)8-7-16-15(19)11-5-6-12(22-2)13(9-11)23-3/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate?
ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate has a molecular weight of 374.42 g/mol, XLogP of -0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3,4-dimethoxybenzoyl)amino]ethylsulfonylamino]acetate is sourced from PubChem (CID 7618819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).