4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

C20H26N2O2S — CID 35577491

IUPAC4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-9-11-22(12-10-15)18(19-4-3-13-25-19)14-21-20(23)16-5-7-17(24-2)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyQCTCXEDSTVROGO-SFHVURJKSA-N
MW358.51 g/mol
LogP3.96
Rot. Bonds6

About 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide

4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 35577491) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID35577491
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-15-9-11-22(12-10-15)18(19-4-3-13-25-19)14-21-20(23)16-5-7-17(24-2)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyQCTCXEDSTVROGO-SFHVURJKSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
2,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006385
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
2-(2-methoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 43006350
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 43003426
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 35577491) is 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is QCTCXEDSTVROGO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-9-11-22(12-10-15)18(19-4-3-13-25-19)14-21-20(23)16-5-7-17(24-2)8-6-16/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide?
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 358.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 35577491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).