4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

C26H35N3O4S — CID 51712274

IUPAC4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C26H35N3O4S/c1-19-5-3-6-20(2)29(19)25(30)18-33-22-10-8-21(9-11-22)26(31)27-17-23(24-7-4-16-34-24)28-12-14-32-15-13-28/h4,7-11,16,19-20,23H,3,5-6,12-15,17-18H2,1-2H3,(H,27,31)/t19-,20+,23-/m0/s1
InChIKeyFJHHWVICSUALJW-MZKRTTBSSA-N
MW485.65 g/mol
LogP3.72
Rot. Bonds8

About 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 51712274) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID51712274
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C26H35N3O4S/c1-19-5-3-6-20(2)29(19)25(30)18-33-22-10-8-21(9-11-22)26(31)27-17-23(24-7-4-16-34-24)28-12-14-32-15-13-28/h4,7-11,16,19-20,23H,3,5-6,12-15,17-18H2,1-2H3,(H,27,31)/t19-,20+,23-/m0/s1
InChIKeyFJHHWVICSUALJW-MZKRTTBSSA-N
XLogP3.72
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
2-(4-acetylphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17405367
2-(4-benzoylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 31419969
2-(4-methoxyphenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 17014749
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
4-(2-methylpropoxy)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35123222

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (CID 51712274) is 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is FJHHWVICSUALJW-MZKRTTBSSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-19-5-3-6-20(2)29(19)25(30)18-33-22-10-8-21(9-11-22)26(31)27-17-23(24-7-4-16-34-24)28-12-14-32-15-13-28/h4,7-11,16,19-20,23H,3,5-6,12-15,17-18H2,1-2H3,(H,27,31)/t19-,20+,23-/m0/s1.
What are the key properties of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 485.65 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 51712274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).