2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide

C24H20N2O4S — CID 43943137

IUPAC2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)COc2ccc3ccccc3c2)sc2cc3c(cc21)OCCO3
InChIInChI=1S/C24H20N2O4S/c1-2-9-26-19-13-20-21(29-11-10-28-20)14-22(19)31-24(26)25-23(27)15-30-18-8-7-16-5-3-4-6-17(16)12-18/h2-8,12-14H,1,9-11,15H2/b25-24-
InChIKeyXMVDCKBVRVJYLG-IZHYLOQSSA-N
MW432.50 g/mol
LogP4.32
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide

2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 43943137) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID43943137
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
SMILESC=CCn1/c(=N/C(=O)COc2ccc3ccccc3c2)sc2cc3c(cc21)OCCO3
InChIInChI=1S/C24H20N2O4S/c1-2-9-26-19-13-20-21(29-11-10-28-20)14-22(19)31-24(26)25-23(27)15-30-18-8-7-16-5-3-4-6-17(16)12-18/h2-8,12-14H,1,9-11,15H2/b25-24-
InChIKeyXMVDCKBVRVJYLG-IZHYLOQSSA-N
XLogP4.32
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenoxy)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943140
4-(benzenesulfonyl)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)butanamide
CID 25407015
N-(7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)naphthalene-1-carboxamide
CID 18572801
2-cyclohexyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide
CID 43943121
2,5-dimethyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)furan-3-carboxamide
CID 43943550
methyl 2-[2-[2-(4-propan-2-ylphenoxy)acetyl]imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 43940134
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 5223678
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenoxy)acetamide
CID 43979566
2-(4-methylphenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942661
2-(4-fluorophenoxy)-N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942632
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenoxy)acetamide
CID 43980291
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 43978543

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide (CID 43943137) is 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide is C=CCn1/c(=N/C(=O)COc2ccc3ccccc3c2)sc2cc3c(cc21)OCCO3.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is XMVDCKBVRVJYLG-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-2-9-26-19-13-20-21(29-11-10-28-20)14-22(19)31-24(26)25-23(27)15-30-18-8-7-16-5-3-4-6-17(16)12-18/h2-8,12-14H,1,9-11,15H2/b25-24-.
What are the key properties of 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide?
2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 432.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 43943137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).