3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

C18H23ClN2O2S — CID 52984511

IUPAC3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-22-15-7-4-6-14(12-15)18(21)19-13-16(17-8-5-11-23-17)20-9-2-3-10-20;/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H,19,21);1H
InChIKeyAYVKYGNJXQIQMA-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.75
Rot. Bonds6

About 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride

3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (PubChem CID 52984511) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
PubChem CID52984511
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC Name3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1.Cl
InChIInChI=1S/C18H22N2O2S.ClH/c1-22-15-7-4-6-14(12-15)18(21)19-13-16(17-8-5-11-23-17)20-9-2-3-10-20;/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H,19,21);1H
InChIKeyAYVKYGNJXQIQMA-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
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N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
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3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
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-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride (CID 52984511) is 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is COc1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1.Cl.
What is the InChIKey of 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
The InChIKey is AYVKYGNJXQIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S.ClH/c1-22-15-7-4-6-14(12-15)18(21)19-13-16(17-8-5-11-23-17)20-9-2-3-10-20;/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H,19,21);1H.
What are the key properties of 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride?
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride has a molecular weight of 366.91 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 52984511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).