benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate

C18H19N3O6S — CID 10250705

IUPACbenzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H19N3O6S/c19-28(25,26)15-8-6-14(7-9-15)18(24)21-10-16(22)20-11-17(23)27-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,22)(H,21,24)(H2,19,25,26)
InChIKeyGCPBYTWWBHXMDF-UHFFFAOYSA-N
MW405.43 g/mol
LogP-0.08
Rot. Bonds8

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

benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate (PubChem CID 10250705) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate
PubChem CID10250705
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Namebenzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate
SMILESNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C18H19N3O6S/c19-28(25,26)15-8-6-14(7-9-15)18(24)21-10-16(22)20-11-17(23)27-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,22)(H,21,24)(H2,19,25,26)
InChIKeyGCPBYTWWBHXMDF-UHFFFAOYSA-N
XLogP-0.08
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate (CID 10250705) is benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate is NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate?
The InChIKey is GCPBYTWWBHXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c19-28(25,26)15-8-6-14(7-9-15)18(24)21-10-16(22)20-11-17(23)27-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,20,22)(H,21,24)(H2,19,25,26).
What are the key properties of benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate?
benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate has a molecular weight of 405.43 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 10250705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).