2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide

C20H22F2N2OS — CID 119535234

IUPAC2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(NCCC1CCNC1)C(Sc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C20H22F2N2OS/c21-16-6-7-17(22)18(12-16)26-19(15-4-2-1-3-5-15)20(25)24-11-9-14-8-10-23-13-14/h1-7,12,14,19,23H,8-11,13H2,(H,24,25)
InChIKeyIEWNJWSVHZDTDG-UHFFFAOYSA-N
MW376.47 g/mol
LogP3.91
Rot. Bonds7

About 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 119535234) has the molecular formula C20H22F2N2OS and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID119535234
Molecular FormulaC20H22F2N2OS
Molecular Weight376.47 g/mol
Exact Mass376.14
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(NCCC1CCNC1)C(Sc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C20H22F2N2OS/c21-16-6-7-17(22)18(12-16)26-19(15-4-2-1-3-5-15)20(25)24-11-9-14-8-10-23-13-14/h1-7,12,14,19,23H,8-11,13H2,(H,24,25)
InChIKeyIEWNJWSVHZDTDG-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119558315
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463362
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2-methoxy-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537685
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119533848
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
4-methyl-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119533754
3-[(2,5-difluorophenyl)sulfanylmethyl]pyrrolidine
CID 62372661
2-(2-bromo-4-fluorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119535504

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 119535234) is 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(NCCC1CCNC1)C(Sc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is IEWNJWSVHZDTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2OS/c21-16-6-7-17(22)18(12-16)26-19(15-4-2-1-3-5-15)20(25)24-11-9-14-8-10-23-13-14/h1-7,12,14,19,23H,8-11,13H2,(H,24,25).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 376.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 119535234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).