2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C18H17N3O4S2 — CID 2915094

IUPAC2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-13(25-15-5-3-2-4-6-15)17(22)20-14-7-9-16(10-8-14)27(23,24)21-18-19-11-12-26-18/h2-13H,1H3,(H,19,21)(H,20,22)
InChIKeyGPUZGMZMKUODHR-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.35
Rot. Bonds7

About 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 2915094) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID2915094
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-13(25-15-5-3-2-4-6-15)17(22)20-14-7-9-16(10-8-14)27(23,24)21-18-19-11-12-26-18/h2-13H,1H3,(H,19,21)(H,20,22)
InChIKeyGPUZGMZMKUODHR-UHFFFAOYSA-N
XLogP3.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 2915094) is 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is GPUZGMZMKUODHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-13(25-15-5-3-2-4-6-15)17(22)20-14-7-9-16(10-8-14)27(23,24)21-18-19-11-12-26-18/h2-13H,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2915094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).