2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C18H21N3O5S — CID 2465164

IUPAC2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H21N3O5S/c19-27(24,25)16-8-6-14(7-9-16)10-11-20-17(22)12-21-18(23)13-26-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyZPFVUDUFHMLBIG-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.19
Rot. Bonds9

About 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 2465164) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID2465164
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C18H21N3O5S/c19-27(24,25)16-8-6-14(7-9-16)10-11-20-17(22)12-21-18(23)13-26-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyZPFVUDUFHMLBIG-UHFFFAOYSA-N
XLogP0.19
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 2465164) is 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is ZPFVUDUFHMLBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c19-27(24,25)16-8-6-14(7-9-16)10-11-20-17(22)12-21-18(23)13-26-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 391.45 g/mol, XLogP of 0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 2465164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).