N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C18H19N3O4S2 — CID 2105816

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1
InChIInChI=1S/C18H19N3O4S2/c1-21(14-6-8-15(25-2)9-7-14)27(23,24)16-5-3-4-13(12-16)17(22)20-18-19-10-11-26-18/h3-9,12H,10-11H2,1-2H3,(H,19,20,22)
InChIKeyZRWGLGKYCVWXCU-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.35
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2105816) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2105816
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1
InChIInChI=1S/C18H19N3O4S2/c1-21(14-6-8-15(25-2)9-7-14)27(23,24)16-5-3-4-13(12-16)17(22)20-18-19-10-11-26-18/h3-9,12H,10-11H2,1-2H3,(H,19,20,22)
InChIKeyZRWGLGKYCVWXCU-UHFFFAOYSA-N
XLogP2.35
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]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 N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2105816) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is ZRWGLGKYCVWXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-21(14-6-8-15(25-2)9-7-14)27(23,24)16-5-3-4-13(12-16)17(22)20-18-19-10-11-26-18/h3-9,12H,10-11H2,1-2H3,(H,19,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2105816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).