N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide

C16H14N2O2S — CID 16749996

IUPACN,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
SMILESCN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3
InChIKeyTUPPZGFKINLCEX-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.75
Rot. Bonds2

About N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide

N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide (PubChem CID 16749996) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
PubChem CID16749996
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide
SMILESCN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3
InChIKeyTUPPZGFKINLCEX-UHFFFAOYSA-N
XLogP2.75
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The IUPAC name of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide (CID 16749996) is N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The canonical SMILES for N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide is CN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1.
What is the InChIKey of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The InChIKey is TUPPZGFKINLCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide has a molecular weight of 298.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16749996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).