N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide

C20H18N2O3S — CID 40889674

IUPACN-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCc1cccc2s/c(=N\C(=O)c3cc4cccc(OC)c4o3)n(C)c12
InChIInChI=1S/C20H18N2O3S/c1-4-12-7-6-10-16-17(12)22(2)20(26-16)21-19(23)15-11-13-8-5-9-14(24-3)18(13)25-15/h5-11H,4H2,1-3H3/b21-20-
InChIKeyGGNCBUFLAYNLEC-MRCUWXFGSA-N
MW366.44 g/mol
LogP4.30
Rot. Bonds3

About N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide

N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 40889674) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID40889674
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCCc1cccc2s/c(=N\C(=O)c3cc4cccc(OC)c4o3)n(C)c12
InChIInChI=1S/C20H18N2O3S/c1-4-12-7-6-10-16-17(12)22(2)20(26-16)21-19(23)15-11-13-8-5-9-14(24-3)18(13)25-15/h5-11H,4H2,1-3H3/b21-20-
InChIKeyGGNCBUFLAYNLEC-MRCUWXFGSA-N
XLogP4.30
TPSA56.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
CID 40889686
7-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40888945
7-methoxy-N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide
CID 40889749
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
CID 40889710
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 3316524
7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40889930
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-7-methoxy-1-benzofuran-2-carboxamide
CID 40889611
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 3416076
7-methoxy-N-(7-prop-2-ynyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-1-benzofuran-2-carboxamide
CID 40889706
methyl 3-(2-ethoxy-2-oxoethyl)-2-(7-methoxy-1-benzofuran-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate
CID 40889634
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1,2-oxazole-5-carboxamide
CID 41149518
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide (CID 40889674) is N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide is CCc1cccc2s/c(=N\C(=O)c3cc4cccc(OC)c4o3)n(C)c12.
What is the InChIKey of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is GGNCBUFLAYNLEC-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-4-12-7-6-10-16-17(12)22(2)20(26-16)21-19(23)15-11-13-8-5-9-14(24-3)18(13)25-15/h5-11H,4H2,1-3H3/b21-20-.
What are the key properties of N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide?
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40889674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).