4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide

C18H22N2O2S — CID 99874398

IUPAC4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESCO[C@H]1CCN(c2ccc(C(=O)NCCc3cccs3)cc2)C1
InChIInChI=1S/C18H22N2O2S/c1-22-16-9-11-20(13-16)15-6-4-14(5-7-15)18(21)19-10-8-17-3-2-12-23-17/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyDARQKURYPFFUMD-INIZCTEOSA-N
MW330.45 g/mol
LogP2.95
Rot. Bonds6

About 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide

4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 99874398) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID99874398
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESCO[C@H]1CCN(c2ccc(C(=O)NCCc3cccs3)cc2)C1
InChIInChI=1S/C18H22N2O2S/c1-22-16-9-11-20(13-16)15-6-4-14(5-7-15)18(21)19-10-8-17-3-2-12-23-17/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyDARQKURYPFFUMD-INIZCTEOSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 99874395
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 9396044
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
4-(2-oxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 51074825
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
4-methoxy-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189499
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide (CID 99874398) is 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide is CO[C@H]1CCN(c2ccc(C(=O)NCCc3cccs3)cc2)C1.
What is the InChIKey of 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is DARQKURYPFFUMD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-16-9-11-20(13-16)15-6-4-14(5-7-15)18(21)19-10-8-17-3-2-12-23-17/h2-7,12,16H,8-11,13H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide?
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 330.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 99874398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).