2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide

C19H21FN2O2S — CID 120945699

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide
SMILESO=C(NCC1CNCC1O)C(Sc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O2S/c20-15-8-4-5-9-17(15)25-18(13-6-2-1-3-7-13)19(24)22-11-14-10-21-12-16(14)23/h1-9,14,16,18,21,23H,10-12H2,(H,22,24)
InChIKeyIUFILOUARPXJLV-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.36
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide

2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide (PubChem CID 120945699) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide
PubChem CID120945699
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide
SMILESO=C(NCC1CNCC1O)C(Sc1ccccc1F)c1ccccc1
InChIInChI=1S/C19H21FN2O2S/c20-15-8-4-5-9-17(15)25-18(13-6-2-1-3-7-13)19(24)22-11-14-10-21-12-16(14)23/h1-9,14,16,18,21,23H,10-12H2,(H,22,24)
InChIKeyIUFILOUARPXJLV-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-[(2R)-2-(ethylamino)propyl]-2-(2-fluorophenyl)sulfanyl-2-phenylacetamide;hydrochloride
CID 120653440
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylsulfanylbutanamide
CID 120947547
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463362
2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
CID 120943741
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120943683
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535234
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119558315

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide (CID 120945699) is 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide is O=C(NCC1CNCC1O)C(Sc1ccccc1F)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide?
The InChIKey is IUFILOUARPXJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-15-8-4-5-9-17(15)25-18(13-6-2-1-3-7-13)19(24)22-11-14-10-21-12-16(14)23/h1-9,14,16,18,21,23H,10-12H2,(H,22,24).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide?
2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide has a molecular weight of 360.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 120945699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).