4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide

C21H23N3O4S2 — CID 108780400

IUPAC4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-27-17-7-9-18(10-8-17)30(25,26)23-21-22-20(16-5-3-2-4-6-16)19(29-21)15-24-11-13-28-14-12-24/h2-10H,11-15H2,1H3,(H,22,23)
InChIKeyGETIIRKPFIEJGF-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.45
Rot. Bonds7

About 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide

4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 108780400) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID108780400
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC Name4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-27-17-7-9-18(10-8-17)30(25,26)23-21-22-20(16-5-3-2-4-6-16)19(29-21)15-24-11-13-28-14-12-24/h2-10H,11-15H2,1H3,(H,22,23)
InChIKeyGETIIRKPFIEJGF-UHFFFAOYSA-N
XLogP3.45
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide (CID 108780400) is 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)cc1.
What is the InChIKey of 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is GETIIRKPFIEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-27-17-7-9-18(10-8-17)30(25,26)23-21-22-20(16-5-3-2-4-6-16)19(29-21)15-24-11-13-28-14-12-24/h2-10H,11-15H2,1H3,(H,22,23).
What are the key properties of 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide?
4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 445.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 108780400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).