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

C20H16N2O2S — CID 7742065

IUPACN-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-15-9-6-13(7-10-15)12-18(23)21-20-22-19-16-5-3-2-4-14(16)8-11-17(19)25-20/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyKYPJYGHBNIHGNW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.64
Rot. Bonds4

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

N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide (PubChem CID 7742065) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
PubChem CID7742065
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1
InChIInChI=1S/C20H16N2O2S/c1-24-15-9-6-13(7-10-15)12-18(23)21-20-22-19-16-5-3-2-4-14(16)8-11-17(19)25-20/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyKYPJYGHBNIHGNW-UHFFFAOYSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8781141
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8719026
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838691
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
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
N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041301
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(2-methoxyphenyl)prop-2-enamide
CID 2449449

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide (CID 7742065) is N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide?
The InChIKey is KYPJYGHBNIHGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-15-9-6-13(7-10-15)12-18(23)21-20-22-19-16-5-3-2-4-14(16)8-11-17(19)25-20/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide?
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7742065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).