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

C15H11IN2O2S — CID 45479202

IUPACN-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1I
InChIInChI=1S/C15H11IN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
InChIKeyPYEITMNPLXAWOC-UHFFFAOYSA-N
MW410.24 g/mol
LogP3.31
Rot. Bonds3

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

N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 45479202) has the molecular formula C15H11IN2O2S and a molecular weight of 410.24 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID45479202
Molecular FormulaC15H11IN2O2S
Molecular Weight410.24 g/mol
Exact Mass409.96
IUPAC NameN-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1I
InChIInChI=1S/C15H11IN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19)
InChIKeyPYEITMNPLXAWOC-UHFFFAOYSA-N
XLogP3.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide (CID 45479202) is N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is PYEITMNPLXAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O2S/c16-11-6-2-3-7-12(11)17-14(19)9-18-15(20)10-5-1-4-8-13(10)21-18/h1-8H,9H2,(H,17,19).
What are the key properties of N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide?
N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 410.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 45479202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).