N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide

C20H26ClN3O5S2 — CID 3361114

IUPACN-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide
SMILESCOCCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)N2CCC(C)CC2)sc2cc(Cl)ccc21
InChIInChI=1S/C20H26ClN3O5S2/c1-14-5-7-23(8-6-14)19(26)13-31(27,28)12-18(25)22-20-24(9-10-29-2)16-4-3-15(21)11-17(16)30-20/h3-4,11,14H,5-10,12-13H2,1-2H3/b22-20-
InChIKeyRUOWIHPHEQOUQC-XDOYNYLZSA-N
MW488.03 g/mol
LogP2.10
Rot. Bonds7

About N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide (PubChem CID 3361114) has the molecular formula C20H26ClN3O5S2 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide
PubChem CID3361114
Molecular FormulaC20H26ClN3O5S2
Molecular Weight488.03 g/mol
Exact Mass487.10
IUPAC NameN-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide
SMILESCOCCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)N2CCC(C)CC2)sc2cc(Cl)ccc21
InChIInChI=1S/C20H26ClN3O5S2/c1-14-5-7-23(8-6-14)19(26)13-31(27,28)12-18(25)22-20-24(9-10-29-2)16-4-3-15(21)11-17(16)30-20/h3-4,11,14H,5-10,12-13H2,1-2H3/b22-20-
InChIKeyRUOWIHPHEQOUQC-XDOYNYLZSA-N
XLogP2.10
TPSA98.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide
CID 4606162
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfonylacetamide
CID 3462256
N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide
CID 4687562
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 3618878
N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetamide
CID 5084826
N-[3-(2-ethoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetamide
CID 5056392
N-(6-chloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfonylacetamide
CID 4082690
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[methyl(methylsulfonyl)amino]acetamide
CID 43938467
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4164435
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2,2-dimethylpropanamide
CID 3624208
methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfonylacetyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 5129949
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide
CID 41019322

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide (CID 3361114) is N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide is COCCn1/c(=N/C(=O)CS(=O)(=O)CC(=O)N2CCC(C)CC2)sc2cc(Cl)ccc21.
What is the InChIKey of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide?
The InChIKey is RUOWIHPHEQOUQC-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H26ClN3O5S2/c1-14-5-7-23(8-6-14)19(26)13-31(27,28)12-18(25)22-20-24(9-10-29-2)16-4-3-15(21)11-17(16)30-20/h3-4,11,14H,5-10,12-13H2,1-2H3/b22-20-.
What are the key properties of N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide?
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide has a molecular weight of 488.03 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 3361114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).