ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate

C20H22N2O7S — CID 24687568

IUPACethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O7S/c1-2-28-20(25)16-10-6-7-11-17(16)22-18(23)14-29-19(24)12-13-21-30(26,27)15-8-4-3-5-9-15/h3-11,21H,2,12-14H2,1H3,(H,22,23)
InChIKeyBZYVBFKTWPCQDS-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.71
Rot. Bonds10

About ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate

ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate (PubChem CID 24687568) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate
PubChem CID24687568
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC Nameethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O7S/c1-2-28-20(25)16-10-6-7-11-17(16)22-18(23)14-29-19(24)12-13-21-30(26,27)15-8-4-3-5-9-15/h3-11,21H,2,12-14H2,1H3,(H,22,23)
InChIKeyBZYVBFKTWPCQDS-UHFFFAOYSA-N
XLogP1.71
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate (CID 24687568) is ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate?
The InChIKey is BZYVBFKTWPCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c1-2-28-20(25)16-10-6-7-11-17(16)22-18(23)14-29-19(24)12-13-21-30(26,27)15-8-4-3-5-9-15/h3-11,21H,2,12-14H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate?
ethyl 2-[[2-[3-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate has a molecular weight of 434.47 g/mol, XLogP of 1.71, 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-(benzenesulfonamido)propanoyloxy]acetyl]amino]benzoate is sourced from PubChem (CID 24687568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).