3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide

C18H18N2O2S — CID 46352433

IUPAC3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCCn1c(=O)sc2cc(NC(=O)c3cccc(C)c3)ccc21
InChIInChI=1S/C18H18N2O2S/c1-3-9-20-15-8-7-14(11-16(15)23-18(20)22)19-17(21)13-6-4-5-12(2)10-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,21)
InChIKeyQMELNXBVUAOIHE-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.03
Rot. Bonds4

About 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide

3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 46352433) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID46352433
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCCn1c(=O)sc2cc(NC(=O)c3cccc(C)c3)ccc21
InChIInChI=1S/C18H18N2O2S/c1-3-9-20-15-8-7-14(11-16(15)23-18(20)22)19-17(21)13-6-4-5-12(2)10-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,21)
InChIKeyQMELNXBVUAOIHE-UHFFFAOYSA-N
XLogP4.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100547061
3-(azepan-1-ylsulfonyl)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 100541294
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylbenzamide
CID 3339787
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540873
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
N-(4-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075154
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 100540127
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
4-chloro-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-3-(phenylsulfamoyl)benzamide
CID 100540799
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100548495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide (CID 46352433) is 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide is CCCn1c(=O)sc2cc(NC(=O)c3cccc(C)c3)ccc21.
What is the InChIKey of 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is QMELNXBVUAOIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-9-20-15-8-7-14(11-16(15)23-18(20)22)19-17(21)13-6-4-5-12(2)10-13/h4-8,10-11H,3,9H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 46352433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).