7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

C22H22N2O6S2 — CID 40889820

IUPAC7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3CCOC)oc12
InChIInChI=1S/C22H22N2O6S2/c1-4-29-17-7-5-6-14-12-18(30-20(14)17)21(25)23-22-24(10-11-28-2)16-9-8-15(32(3,26)27)13-19(16)31-22/h5-9,12-13H,4,10-11H2,1-3H3/b23-22-
InChIKeyWMAMHRNNQFLXKZ-FCQUAONHSA-N
MW474.56 g/mol
LogP3.64
Rot. Bonds7

About 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide

7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (PubChem CID 40889820) has the molecular formula C22H22N2O6S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
PubChem CID40889820
Molecular FormulaC22H22N2O6S2
Molecular Weight474.56 g/mol
Exact Mass474.09
IUPAC Name7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2cc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3CCOC)oc12
InChIInChI=1S/C22H22N2O6S2/c1-4-29-17-7-5-6-14-12-18(30-20(14)17)21(25)23-22-24(10-11-28-2)16-9-8-15(32(3,26)27)13-19(16)31-22/h5-9,12-13H,4,10-11H2,1-3H3/b23-22-
InChIKeyWMAMHRNNQFLXKZ-FCQUAONHSA-N
XLogP3.64
TPSA100.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40889930
7-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40888945
7-ethoxy-N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40889961
7-ethoxy-N-[6-ethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40889982
7-ethoxy-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide
CID 40889889
methyl 2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 40889854
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-7-methoxy-1-benzofuran-2-carboxamide
CID 40889611
2-bromo-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide
CID 3562310
7-methoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40888935
ethyl 2-[2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate
CID 40889859
N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40889927
ethyl 2-[2-(7-ethoxy-1-benzofuran-2-carbonyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 40889926

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide (CID 40889820) is 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is CCOc1cccc2cc(C(=O)/N=c3\sc4cc(S(C)(=O)=O)ccc4n3CCOC)oc12.
What is the InChIKey of 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?
The InChIKey is WMAMHRNNQFLXKZ-FCQUAONHSA-N. The full InChI is InChI=1S/C22H22N2O6S2/c1-4-29-17-7-5-6-14-12-18(30-20(14)17)21(25)23-22-24(10-11-28-2)16-9-8-15(32(3,26)27)13-19(16)31-22/h5-9,12-13H,4,10-11H2,1-3H3/b23-22-.
What are the key properties of 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide?
7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40889820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).