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

C17H15ClN2O2S — CID 15990381

IUPAC2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCCn1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C17H15ClN2O2S/c1-2-9-20-14-8-7-11(10-15(14)23-17(20)22)19-16(21)12-5-3-4-6-13(12)18/h3-8,10H,2,9H2,1H3,(H,19,21)
InChIKeyOFGHFHJSNMCYDM-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.38
Rot. Bonds4

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

2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 15990381) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID15990381
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide
SMILESCCCn1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C17H15ClN2O2S/c1-2-9-20-14-8-7-11(10-15(14)23-17(20)22)19-16(21)12-5-3-4-6-13(12)18/h3-8,10H,2,9H2,1H3,(H,19,21)
InChIKeyOFGHFHJSNMCYDM-UHFFFAOYSA-N
XLogP4.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide (CID 15990381) is 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide is CCCn1c(=O)sc2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is OFGHFHJSNMCYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-2-9-20-14-8-7-11(10-15(14)23-17(20)22)19-16(21)12-5-3-4-6-13(12)18/h3-8,10H,2,9H2,1H3,(H,19,21).
What are the key properties of 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide?
2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 346.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-3-propyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 15990381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).