N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide

C27H26N2O6S — CID 70689136

IUPACN-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C27H26N2O6S/c1-31-21-10-7-17(5-6-18-12-23(32-2)27(34-4)24(13-18)33-3)11-22(21)35-15-26(30)29-19-8-9-20-25(14-19)36-16-28-20/h5-14,16H,15H2,1-4H3,(H,29,30)/b6-5-
InChIKeyVJFRMGHPHVTNJN-WAYWQWQTSA-N
MW506.58 g/mol
LogP5.52
Rot. Bonds10

About N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide

N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide (PubChem CID 70689136) has the molecular formula C27H26N2O6S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
PubChem CID70689136
Molecular FormulaC27H26N2O6S
Molecular Weight506.58 g/mol
Exact Mass506.15
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C27H26N2O6S/c1-31-21-10-7-17(5-6-18-12-23(32-2)27(34-4)24(13-18)33-3)11-22(21)35-15-26(30)29-19-8-9-20-25(14-19)36-16-28-20/h5-14,16H,15H2,1-4H3,(H,29,30)/b6-5-
InChIKeyVJFRMGHPHVTNJN-WAYWQWQTSA-N
XLogP5.52
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
CID 123638482
N-(3-hydroxy-4-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478740
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-(4-bromophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611543
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[2-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
CID 118296697
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[2-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
CID 118296707
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
2-amino-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521859
2-amino-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]acetamide
CID 68521879

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide (CID 70689136) is N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide?
The InChIKey is VJFRMGHPHVTNJN-WAYWQWQTSA-N. The full InChI is InChI=1S/C27H26N2O6S/c1-31-21-10-7-17(5-6-18-12-23(32-2)27(34-4)24(13-18)33-3)11-22(21)35-15-26(30)29-19-8-9-20-25(14-19)36-16-28-20/h5-14,16H,15H2,1-4H3,(H,29,30)/b6-5-.
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide?
N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide has a molecular weight of 506.58 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide is sourced from PubChem (CID 70689136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).