N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide

C19H20F2N2OS — CID 8871168

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(F)ccc1F)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H20F2N2OS/c20-15-6-7-17(21)18(10-15)25-13-19(24)22-16-8-9-23(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24)/t16-/m1/s1
InChIKeyOBOHCJHVWFRSGT-MRXNPFEDSA-N
MW362.45 g/mol
LogP3.45
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide (PubChem CID 8871168) has the molecular formula C19H20F2N2OS and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
PubChem CID8871168
Molecular FormulaC19H20F2N2OS
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1cc(F)ccc1F)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H20F2N2OS/c20-15-6-7-17(21)18(10-15)25-13-19(24)22-16-8-9-23(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24)/t16-/m1/s1
InChIKeyOBOHCJHVWFRSGT-MRXNPFEDSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25348020
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674917
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 25494326
[2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8694516
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide (CID 8871168) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide is O=C(CSc1cc(F)ccc1F)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide?
The InChIKey is OBOHCJHVWFRSGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F2N2OS/c20-15-6-7-17(21)18(10-15)25-13-19(24)22-16-8-9-23(12-16)11-14-4-2-1-3-5-14/h1-7,10,16H,8-9,11-13H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide has a molecular weight of 362.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 8871168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).