N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C15H11ClN2O2S — CID 705440

IUPACN-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9H2,(H,17,19)
InChIKeyZYJJBVAXWIDPSQ-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.36
Rot. Bonds3

About N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 705440) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID705440
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC NameN-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9H2,(H,17,19)
InChIKeyZYJJBVAXWIDPSQ-UHFFFAOYSA-N
XLogP3.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tiaramide
CID 5469
Tiaramide Hydrochloride
CID 443949
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 44271377
5-Chloro-3-(2-oxo-2-(1-piperazinyl)ethyl)-2(3H)-benzothiazolone
CID 169502
N-(4-chloro-2-fluorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2548632
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 4043438
N-{2-[butyl(methyl)amino]ethyl}-2-[2-oxo-1,3-benzothiazol-3(2H)-yl]acetamide
CID 5307267
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-decylpiperidine-4-carboxamide
CID 44271289
3-[4-[4-(4-Chlorophenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713591
3-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713592
3-[2-(Azepan-1-yl)ethyl]-5-chloro-1,3-benzothiazol-2-one
CID 155528147
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4879562

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 705440) is N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is ZYJJBVAXWIDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-12-6-1-2-7-13(12)21-15(18)20/h1-8H,9H2,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 318.79 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 705440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).