2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide

C23H22N2O4S — CID 41202013

IUPAC2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
SMILESCOCCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2c3ccccc3ccc21
InChIInChI=1S/C23H22N2O4S/c1-27-14-13-25-17-12-11-15-7-4-5-8-16(15)21(17)30-23(25)24-22(26)20-18(28-2)9-6-10-19(20)29-3/h4-12H,13-14H2,1-3H3/b24-23-
InChIKeyIMKDVNYRELWXAK-VHXPQNKSSA-N
MW422.51 g/mol
LogP4.26
Rot. Bonds6

About 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide

2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide (PubChem CID 41202013) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
PubChem CID41202013
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
SMILESCOCCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2c3ccccc3ccc21
InChIInChI=1S/C23H22N2O4S/c1-27-14-13-25-17-12-11-15-7-4-5-8-16(15)21(17)30-23(25)24-22(26)20-18(28-2)9-6-10-19(20)29-3/h4-12H,13-14H2,1-3H3/b24-23-
InChIKeyIMKDVNYRELWXAK-VHXPQNKSSA-N
XLogP4.26
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]acetamide
CID 7152869
N,N'-bis[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]nonanediamide
CID 43938997
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 43938665
2,6-dimethoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7153141
ethyl 2-[2-(2-methoxybenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 42387750
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 43938845
4-bromo-N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 43939041
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 94864901
2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4259218
N-[3-(2-ethoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]furan-2-carboxamide
CID 7153255
3,4,5-trimethoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 2151306
7-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-benzofuran-2-carboxamide
CID 40888945

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide (CID 41202013) is 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide is COCCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2c3ccccc3ccc21.
What is the InChIKey of 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide?
The InChIKey is IMKDVNYRELWXAK-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-27-14-13-25-17-12-11-15-7-4-5-8-16(15)21(17)30-23(25)24-22(26)20-18(28-2)9-6-10-19(20)29-3/h4-12H,13-14H2,1-3H3/b24-23-.
What are the key properties of 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide?
2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide has a molecular weight of 422.51 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 41202013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).