N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide

C20H16N2O3S — CID 5244881

IUPACN-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1
InChIInChI=1S/C20H16N2O3S/c1-24-14-9-13(10-15(11-14)25-2)19(23)22-20-21-18-16-6-4-3-5-12(16)7-8-17(18)26-20/h3-11H,1-2H3,(H,21,22,23)
InChIKeyNGSVUMPEDJYHJD-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.72
Rot. Bonds4

About N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide

N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide (PubChem CID 5244881) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
PubChem CID5244881
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1
InChIInChI=1S/C20H16N2O3S/c1-24-14-9-13(10-15(11-14)25-2)19(23)22-20-21-18-16-6-4-3-5-12(16)7-8-17(18)26-20/h3-11H,1-2H3,(H,21,22,23)
InChIKeyNGSVUMPEDJYHJD-UHFFFAOYSA-N
XLogP4.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698
3,5-dimethoxy-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 4098299
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546
N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041301
N-benzo[e][1,3]benzothiazol-2-yl-4-(methylsulfonylmethyl)benzamide
CID 8781134
N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8781141
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
CID 16616263
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide (CID 5244881) is N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide?
The InChIKey is NGSVUMPEDJYHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-14-9-13(10-15(11-14)25-2)19(23)22-20-21-18-16-6-4-3-5-12(16)7-8-17(18)26-20/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide?
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide has a molecular weight of 364.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide is sourced from PubChem (CID 5244881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).