N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide

C22H20N2O4S — CID 8781141

IUPACN-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4S/c1-26-16-10-13(11-17(27-2)21(16)28-3)12-19(25)23-22-24-20-15-7-5-4-6-14(15)8-9-18(20)29-22/h4-11H,12H2,1-3H3,(H,23,24,25)
InChIKeyDGAHHFKCFOKVTQ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.66
Rot. Bonds6

About N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide

N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 8781141) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID8781141
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OC)c1OC
InChIInChI=1S/C22H20N2O4S/c1-26-16-10-13(11-17(27-2)21(16)28-3)12-19(25)23-22-24-20-15-7-5-4-6-14(15)8-9-18(20)29-22/h4-11H,12H2,1-3H3,(H,23,24,25)
InChIKeyDGAHHFKCFOKVTQ-UHFFFAOYSA-N
XLogP4.66
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26118277
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838691
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(2-methoxyphenyl)prop-2-enamide
CID 2449449
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
3-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
CID 7202553
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide (CID 8781141) is N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OC)c1OC.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is DGAHHFKCFOKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-26-16-10-13(11-17(27-2)21(16)28-3)12-19(25)23-22-24-20-15-7-5-4-6-14(15)8-9-18(20)29-22/h4-11H,12H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide?
N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 408.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 8781141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).