N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide

C15H19F3N2OS — CID 59125012

IUPACN-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)13(9-19-14(21)10-22)20-7-1-2-8-20/h3-6,13,22H,1-2,7-10H2,(H,19,21)
InChIKeyUFISWYXYJPSUMZ-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.89
Rot. Bonds5

About N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide

N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide (PubChem CID 59125012) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
PubChem CID59125012
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
SMILESO=C(CS)NCC(c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)13(9-19-14(21)10-22)20-7-1-2-8-20/h3-6,13,22H,1-2,7-10H2,(H,19,21)
InChIKeyUFISWYXYJPSUMZ-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 154868569
2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 54775908
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
2-(2-methylpropylsulfonyl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60615431
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533
2-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 16792257
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4841220
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119872524
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide (CID 59125012) is N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide is O=C(CS)NCC(c1ccc(C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide?
The InChIKey is UFISWYXYJPSUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c16-15(17,18)12-5-3-11(4-6-12)13(9-19-14(21)10-22)20-7-1-2-8-20/h3-6,13,22H,1-2,7-10H2,(H,19,21).
What are the key properties of N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide?
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide has a molecular weight of 332.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 59125012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).