1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one

C17H19BrN2OS — CID 94154273

IUPAC1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](NCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C17H19BrN2OS/c18-14-9-15(22-12-14)10-19-16(13-5-2-1-3-6-13)11-20-8-4-7-17(20)21/h1-3,5-6,9,12,16,19H,4,7-8,10-11H2/t16-/m0/s1
InChIKeyGLFVDEMTIKPNIJ-INIZCTEOSA-N
MW379.32 g/mol
LogP3.96
Rot. Bonds6

About 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one

1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one (PubChem CID 94154273) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
PubChem CID94154273
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC Name1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H](NCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C17H19BrN2OS/c18-14-9-15(22-12-14)10-19-16(13-5-2-1-3-6-13)11-20-8-4-7-17(20)21/h1-3,5-6,9,12,16,19H,4,7-8,10-11H2/t16-/m0/s1
InChIKeyGLFVDEMTIKPNIJ-INIZCTEOSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-[(4-chlorothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
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1-[2-(1,3-benzodioxol-4-ylmethylamino)-2-phenylethyl]pyrrolidin-2-one;hydrochloride
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1-[(2R)-2-phenyl-2-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]azepan-2-one
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1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154287
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
1-[(2R)-2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94181805
1-[(2S)-2-(1,3-benzodioxol-4-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 51952418
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 86884933
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one (CID 94154273) is 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one is O=C1CCCN1C[C@H](NCc1cc(Br)cs1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
The InChIKey is GLFVDEMTIKPNIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c18-14-9-15(22-12-14)10-19-16(13-5-2-1-3-6-13)11-20-8-4-7-17(20)21/h1-3,5-6,9,12,16,19H,4,7-8,10-11H2/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one?
1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one has a molecular weight of 379.32 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(4-bromothiophen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one is sourced from PubChem (CID 94154273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).