3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

C17H18F2N2OS — CID 34979612

IUPAC3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2OS/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-4-3-7-23-16)21-5-1-2-6-21/h3-4,7-10,15H,1-2,5-6,11H2,(H,20,22)/t15-/m0/s1
InChIKeyOTCSZUBRHRBHBS-HNNXBMFYSA-N
MW336.41 g/mol
LogP3.59
Rot. Bonds5

About 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide

3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 34979612) has the molecular formula C17H18F2N2OS and a molecular weight of 336.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID34979612
Molecular FormulaC17H18F2N2OS
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H18F2N2OS/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-4-3-7-23-16)21-5-1-2-6-21/h3-4,7-10,15H,1-2,5-6,11H2,(H,20,22)/t15-/m0/s1
InChIKeyOTCSZUBRHRBHBS-HNNXBMFYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
2,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 51186577
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
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-3-carboxamide
CID 39987542
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 34979612) is 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is OTCSZUBRHRBHBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18F2N2OS/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-4-3-7-23-16)21-5-1-2-6-21/h3-4,7-10,15H,1-2,5-6,11H2,(H,20,22)/t15-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide?
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 336.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 34979612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).