3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

C17H19ClN2OS — CID 34951917

IUPAC3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2OS/c18-14-6-3-5-13(11-14)17(21)19-12-15(16-7-4-10-22-16)20-8-1-2-9-20/h3-7,10-11,15H,1-2,8-9,12H2,(H,19,21)/t15-/m0/s1
InChIKeyLXEFWPZLWFEYFH-HNNXBMFYSA-N
MW334.87 g/mol
LogP3.97
Rot. Bonds5

About 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 34951917) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID34951917
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2OS/c18-14-6-3-5-13(11-14)17(21)19-12-15(16-7-4-10-22-16)20-8-1-2-9-20/h3-7,10-11,15H,1-2,8-9,12H2,(H,19,21)/t15-/m0/s1
InChIKeyLXEFWPZLWFEYFH-HNNXBMFYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
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-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
4-chloro-2-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55686900
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86917672
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43843143

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 34951917) is 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is LXEFWPZLWFEYFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-14-6-3-5-13(11-14)17(21)19-12-15(16-7-4-10-22-16)20-8-1-2-9-20/h3-7,10-11,15H,1-2,8-9,12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 334.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 34951917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).