N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C25H29N3O4S — CID 46823944

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCc2nc3ccccc3s2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C25H29N3O4S/c1-2-31-21-16-18(10-11-20(21)32-17-24(29)28-14-6-3-7-15-28)25(30)26-13-12-23-27-19-8-4-5-9-22(19)33-23/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,26,30)
InChIKeyFOXYEQSLFQEWBT-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.06
Rot. Bonds9

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 46823944) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID46823944
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCc2nc3ccccc3s2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C25H29N3O4S/c1-2-31-21-16-18(10-11-20(21)32-17-24(29)28-14-6-3-7-15-28)25(30)26-13-12-23-27-19-8-4-5-9-22(19)33-23/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,26,30)
InChIKeyFOXYEQSLFQEWBT-UHFFFAOYSA-N
XLogP4.06
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chlorobenzamide
CID 46823827
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 55339765
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 31216633
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 46823944) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)NCCc2nc3ccccc3s2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is FOXYEQSLFQEWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-2-31-21-16-18(10-11-20(21)32-17-24(29)28-14-6-3-7-15-28)25(30)26-13-12-23-27-19-8-4-5-9-22(19)33-23/h4-5,8-11,16H,2-3,6-7,12-15,17H2,1H3,(H,26,30).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 467.59 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 46823944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).