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

C15H11BrN2O2S — CID 45105114

IUPACN-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
InChIKeyPLNMDGZBZDYYEK-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.46
Rot. Bonds3

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

N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 45105114) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID45105114
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC NameN-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19)
InChIKeyPLNMDGZBZDYYEK-UHFFFAOYSA-N
XLogP3.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 45105114) is N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is O=C(Cn1sc2ccccc2c1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is PLNMDGZBZDYYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-10-4-3-5-11(8-10)17-14(19)9-18-15(20)12-6-1-2-7-13(12)21-18/h1-8H,9H2,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 363.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 45105114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).