2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

C20H21N3O4S2 — CID 3163983

IUPAC2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-3-18(27-16-8-4-14(2)5-9-16)19(24)22-15-6-10-17(11-7-15)29(25,26)23-20-21-12-13-28-20/h4-13,18H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIEEYAOZRFWPLEB-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.05
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 3163983) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID3163983
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC Name2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-3-18(27-16-8-4-14(2)5-9-16)19(24)22-15-6-10-17(11-7-15)29(25,26)23-20-21-12-13-28-20/h4-13,18H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIEEYAOZRFWPLEB-UHFFFAOYSA-N
XLogP4.05
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 3163983) is 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is IEEYAOZRFWPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-3-18(27-16-8-4-14(2)5-9-16)19(24)22-15-6-10-17(11-7-15)29(25,26)23-20-21-12-13-28-20/h4-13,18H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 431.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 3163983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).