3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide

C20H26N2O3S — CID 16931236

IUPAC3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2ccsc2)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O3S/c1-24-17-10-16(11-18(12-17)25-2)20(23)21-13-19(15-6-9-26-14-15)22-7-4-3-5-8-22/h6,9-12,14,19H,3-5,7-8,13H2,1-2H3,(H,21,23)
InChIKeyMXDFXJBPGXYNDX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds7

About 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide

3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931236) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931236
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2ccsc2)N2CCCCC2)c1
InChIInChI=1S/C20H26N2O3S/c1-24-17-10-16(11-18(12-17)25-2)20(23)21-13-19(15-6-9-26-14-15)22-7-4-3-5-8-22/h6,9-12,14,19H,3-5,7-8,13H2,1-2H3,(H,21,23)
InChIKeyMXDFXJBPGXYNDX-UHFFFAOYSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30604890
3,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931647
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931298
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide (CID 16931236) is 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide is COc1cc(OC)cc(C(=O)NCC(c2ccsc2)N2CCCCC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is MXDFXJBPGXYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-17-10-16(11-18(12-17)25-2)20(23)21-13-19(15-6-9-26-14-15)22-7-4-3-5-8-22/h6,9-12,14,19H,3-5,7-8,13H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide?
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).