(4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one

C17H19FN2OS — CID 26326661

IUPAC(4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1ccc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C17H19FN2OS/c1-12-2-7-16(22-12)9-19-15-8-17(21)20(11-15)10-13-3-5-14(18)6-4-13/h2-7,15,19H,8-11H2,1H3/t15-/m0/s1
InChIKeyLOLUABDMGNQODU-HNNXBMFYSA-N
MW318.42 g/mol
LogP3.09
Rot. Bonds5

About (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one

(4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 26326661) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one
PubChem CID26326661
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name(4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one
SMILESCc1ccc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1
InChIInChI=1S/C17H19FN2OS/c1-12-2-7-16(22-12)9-19-15-8-17(21)20(11-15)10-13-3-5-14(18)6-4-13/h2-7,15,19H,8-11H2,1H3/t15-/m0/s1
InChIKeyLOLUABDMGNQODU-HNNXBMFYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one with MolForge

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Related Compounds

N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
4-(chloromethyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168507984
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
4-[(2,3-dimethylimidazol-4-yl)methylamino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 45231193
(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 42195659
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 42881896
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
4-ethynyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168501340
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919398
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one (CID 26326661) is (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one is Cc1ccc(CN[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1.
What is the InChIKey of (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is LOLUABDMGNQODU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-12-2-7-16(22-12)9-19-15-8-17(21)20(11-15)10-13-3-5-14(18)6-4-13/h2-7,15,19H,8-11H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one?
(4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-fluorophenyl)methyl]-4-[(5-methylthiophen-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 26326661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).