3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C20H20N4O4S2 — CID 2187328

IUPAC3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C20H20N4O4S2/c1-13(2)18(25)23-16-5-3-4-14(12-16)19(26)22-15-6-8-17(9-7-15)30(27,28)24-20-21-10-11-29-20/h3-13H,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyNXPFQYOEATXNML-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.79
Rot. Bonds7

About 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 2187328) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID2187328
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C20H20N4O4S2/c1-13(2)18(25)23-16-5-3-4-14(12-16)19(26)22-15-6-8-17(9-7-15)30(27,28)24-20-21-10-11-29-20/h3-13H,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyNXPFQYOEATXNML-UHFFFAOYSA-N
XLogP3.79
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 2187328) is 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is NXPFQYOEATXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-13(2)18(25)23-16-5-3-4-14(12-16)19(26)22-15-6-8-17(9-7-15)30(27,28)24-20-21-10-11-29-20/h3-13H,1-2H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2187328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).