3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

C22H23N3O5S2 — CID 1303721

IUPAC3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
InChIInChI=1S/C22H23N3O5S2/c1-2-30-18-5-3-4-17(14-18)21(26)24-22-23-20(15-31-22)16-6-8-19(9-7-16)32(27,28)25-10-12-29-13-11-25/h3-9,14-15H,2,10-13H2,1H3,(H,23,24,26)
InChIKeyQRGZITXPWVJFIM-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.48
Rot. Bonds7

About 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide

3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1303721) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1303721
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
InChIInChI=1S/C22H23N3O5S2/c1-2-30-18-5-3-4-17(14-18)21(26)24-22-23-20(15-31-22)16-6-8-19(9-7-16)32(27,28)25-10-12-29-13-11-25/h3-9,14-15H,2,10-13H2,1H3,(H,23,24,26)
InChIKeyQRGZITXPWVJFIM-UHFFFAOYSA-N
XLogP3.48
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]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-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide (CID 1303721) is 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is CCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1.
What is the InChIKey of 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is QRGZITXPWVJFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-2-30-18-5-3-4-17(14-18)21(26)24-22-23-20(15-31-22)16-6-8-19(9-7-16)32(27,28)25-10-12-29-13-11-25/h3-9,14-15H,2,10-13H2,1H3,(H,23,24,26).
What are the key properties of 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide?
3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1303721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).