4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine

C20H20N2O4S2 — CID 2988638

IUPAC4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine
SMILESCOc1ccc(C=Cc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N2O4S2/c1-25-17-8-6-15(7-9-20-21-16-4-2-3-5-18(16)27-20)14-19(17)28(23,24)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3
InChIKeyFJMOLPJDYPREGY-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.50
Rot. Bonds5

About 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine

4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine (PubChem CID 2988638) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine
PubChem CID2988638
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine
SMILESCOc1ccc(C=Cc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H20N2O4S2/c1-25-17-8-6-15(7-9-20-21-16-4-2-3-5-18(16)27-20)14-19(17)28(23,24)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3
InChIKeyFJMOLPJDYPREGY-UHFFFAOYSA-N
XLogP3.50
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 34464156
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 2704705
2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 20727321
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethoxyphenol
CID 135519915
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4851898
[5-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl] dihydrogen phosphate
CID 165416600
2-[(E)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1,3-benzothiazole
CID 6145747
2-[4-[(Z)-2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 92945317
2-[(E)-2-(3-methoxy-4-methylsulfanylphenyl)ethenyl]-1,3-benzothiazole
CID 60603984
N-(3,5-dimethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71903951
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 2679093
(E)-N-(2-tert-butylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2117973

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine (CID 2988638) is 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine is COc1ccc(C=Cc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine?
The InChIKey is FJMOLPJDYPREGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-25-17-8-6-15(7-9-20-21-16-4-2-3-5-18(16)27-20)14-19(17)28(23,24)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine?
4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine has a molecular weight of 416.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methoxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 2988638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).