3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide

C20H26N2O2S — CID 43843143

IUPAC3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCOc1cccc(C(=O)NCC(c2cccs2)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O2S/c1-2-24-17-9-6-8-16(14-17)20(23)21-15-18(19-10-7-13-25-19)22-11-4-3-5-12-22/h6-10,13-14,18H,2-5,11-12,15H2,1H3,(H,21,23)
InChIKeyRMHGVMCBPROFCT-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.10
Rot. Bonds7

About 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide

3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 43843143) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID43843143
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCOc1cccc(C(=O)NCC(c2cccs2)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O2S/c1-2-24-17-9-6-8-16(14-17)20(23)21-15-18(19-10-7-13-25-19)22-11-4-3-5-12-22/h6-10,13-14,18H,2-5,11-12,15H2,1H3,(H,21,23)
InChIKeyRMHGVMCBPROFCT-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide;hydrochloride
CID 52984636
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 43843143) is 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide is CCOc1cccc(C(=O)NCC(c2cccs2)N2CCCCC2)c1.
What is the InChIKey of 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is RMHGVMCBPROFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-24-17-9-6-8-16(14-17)20(23)21-15-18(19-10-7-13-25-19)22-11-4-3-5-12-22/h6-10,13-14,18H,2-5,11-12,15H2,1H3,(H,21,23).
What are the key properties of 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 358.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 43843143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).