benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate

C18H20N2O6S — CID 24643715

IUPACbenzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O6S/c1-25-15-7-9-16(10-8-15)27(23,24)20-11-17(21)19-12-18(22)26-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,19,21)
InChIKeyWICUIXZMHRZDEG-UHFFFAOYSA-N
MW392.43 g/mol
LogP0.83
Rot. Bonds9

About benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate

benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate (PubChem CID 24643715) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
PubChem CID24643715
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namebenzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O6S/c1-25-15-7-9-16(10-8-15)27(23,24)20-11-17(21)19-12-18(22)26-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,19,21)
InChIKeyWICUIXZMHRZDEG-UHFFFAOYSA-N
XLogP0.83
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061287
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
benzyl 2-[(3-methylphenyl)sulfonylamino]acetate
CID 3735123
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate (CID 24643715) is benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate is COc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate?
The InChIKey is WICUIXZMHRZDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-25-15-7-9-16(10-8-15)27(23,24)20-11-17(21)19-12-18(22)26-13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,19,21).
What are the key properties of benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate?
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate has a molecular weight of 392.43 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate is sourced from PubChem (CID 24643715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).