2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C20H21N3O4S2 — CID 3163326

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C20H21N3O4S2/c1-13-4-5-14(2)18(12-13)27-15(3)19(24)22-16-6-8-17(9-7-16)29(25,26)23-20-21-10-11-28-20/h4-12,15H,1-3H3,(H,21,23)(H,22,24)
InChIKeyISGRWLUFUIHWOT-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.97
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 3163326) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID3163326
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C20H21N3O4S2/c1-13-4-5-14(2)18(12-13)27-15(3)19(24)22-16-6-8-17(9-7-16)29(25,26)23-20-21-10-11-28-20/h4-12,15H,1-3H3,(H,21,23)(H,22,24)
InChIKeyISGRWLUFUIHWOT-UHFFFAOYSA-N
XLogP3.97
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 3163326) is 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is ISGRWLUFUIHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-4-5-14(2)18(12-13)27-15(3)19(24)22-16-6-8-17(9-7-16)29(25,26)23-20-21-10-11-28-20/h4-12,15H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 431.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 3163326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).