N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C19H19ClF3N3OS — CID 25494326

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19ClF3N3OS/c20-16-8-14(19(21,22)23)9-24-18(16)28-12-17(27)25-15-6-7-26(11-15)10-13-4-2-1-3-5-13/h1-5,8-9,15H,6-7,10-12H2,(H,25,27)/t15-/m1/s1
InChIKeyJEPINZTXJNGTAZ-OAHLLOKOSA-N
MW429.90 g/mol
LogP4.24
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 25494326) has the molecular formula C19H19ClF3N3OS and a molecular weight of 429.90 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID25494326
Molecular FormulaC19H19ClF3N3OS
Molecular Weight429.90 g/mol
Exact Mass429.09
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H19ClF3N3OS/c20-16-8-14(19(21,22)23)9-24-18(16)28-12-17(27)25-15-6-7-26(11-15)10-13-4-2-1-3-5-13/h1-5,8-9,15H,6-7,10-12H2,(H,25,27)/t15-/m1/s1
InChIKeyJEPINZTXJNGTAZ-OAHLLOKOSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674917
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2484321
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
2-methylsulfanyl-N-[(3R)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 96547753
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
(E)-N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[3-(trifluoromethyl)phenyl]but-3-enamide
CID 139945871
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674910

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 25494326) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is JEPINZTXJNGTAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19ClF3N3OS/c20-16-8-14(19(21,22)23)9-24-18(16)28-12-17(27)25-15-6-7-26(11-15)10-13-4-2-1-3-5-13/h1-5,8-9,15H,6-7,10-12H2,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 429.90 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 25494326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).