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

C17H14N2O2S — CID 16749999

IUPACN-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide
SMILESO=C(NC1CC1)c1ccccc1-n1sc2ccccc2c1=O
InChIInChI=1S/C17H14N2O2S/c20-16(18-11-9-10-11)12-5-1-3-7-14(12)19-17(21)13-6-2-4-8-15(13)22-19/h1-8,11H,9-10H2,(H,18,20)
InChIKeyILZARGKGKGIGIJ-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.94
Rot. Bonds3

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

N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide (PubChem CID 16749999) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide
PubChem CID16749999
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide
SMILESO=C(NC1CC1)c1ccccc1-n1sc2ccccc2c1=O
InChIInChI=1S/C17H14N2O2S/c20-16(18-11-9-10-11)12-5-1-3-7-14(12)19-17(21)13-6-2-4-8-15(13)22-19/h1-8,11H,9-10H2,(H,18,20)
InChIKeyILZARGKGKGIGIJ-UHFFFAOYSA-N
XLogP2.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The IUPAC name of N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide (CID 16749999) is N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide is O=C(NC1CC1)c1ccccc1-n1sc2ccccc2c1=O.
What is the InChIKey of N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
The InChIKey is ILZARGKGKGIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-16(18-11-9-10-11)12-5-1-3-7-14(12)19-17(21)13-6-2-4-8-15(13)22-19/h1-8,11H,9-10H2,(H,18,20).
What are the key properties of N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide?
N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide has a molecular weight of 310.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-oxo-1,2-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16749999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).