N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide

C17H19N3O5S — CID 1225174

IUPACN-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C17H19N3O5S/c1-12-4-3-5-15(10-12)25-11-17(22)19-20-26(23,24)16-8-6-14(7-9-16)18-13(2)21/h3-10,20H,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGYYSPBWKADYKJV-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.34
Rot. Bonds7

About N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide

N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide (PubChem CID 1225174) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
PubChem CID1225174
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C17H19N3O5S/c1-12-4-3-5-15(10-12)25-11-17(22)19-20-26(23,24)16-8-6-14(7-9-16)18-13(2)21/h3-10,20H,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGYYSPBWKADYKJV-UHFFFAOYSA-N
XLogP1.34
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide (CID 1225174) is N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
The InChIKey is GYYSPBWKADYKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-4-3-5-15(10-12)25-11-17(22)19-20-26(23,24)16-8-6-14(7-9-16)18-13(2)21/h3-10,20H,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide?
N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide has a molecular weight of 377.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(3-methylphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1225174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).