3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide

C18H17FN2O2S — CID 96530782

IUPAC3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CS[C@H]2CCN(c3ccccc3F)C2=O)c1
InChIInChI=1S/C18H17FN2O2S/c19-14-6-1-2-7-15(14)21-9-8-16(18(21)23)24-11-12-4-3-5-13(10-12)17(20)22/h1-7,10,16H,8-9,11H2,(H2,20,22)/t16-/m0/s1
InChIKeyAPRICOZIPHZTID-INIZCTEOSA-N
MW344.41 g/mol
LogP2.96
Rot. Bonds5

About 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide

3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide (PubChem CID 96530782) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide
PubChem CID96530782
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CS[C@H]2CCN(c3ccccc3F)C2=O)c1
InChIInChI=1S/C18H17FN2O2S/c19-14-6-1-2-7-15(14)21-9-8-16(18(21)23)24-11-12-4-3-5-13(10-12)17(20)22/h1-7,10,16H,8-9,11H2,(H2,20,22)/t16-/m0/s1
InChIKeyAPRICOZIPHZTID-INIZCTEOSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R,3S)-2-methyloxolan-3-yl]sulfanylmethyl]benzamide
CID 97326732
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
3-amino-4-[4-(2-fluorophenyl)piperazin-1-yl]benzamide
CID 100633877
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2H-benzotriazole-5-carboxamide
CID 56788494
(3S)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623203
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 34229440
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
3-[[[1-(2-fluorophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122034683

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide?
The IUPAC name of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide (CID 96530782) is 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide is NC(=O)c1cccc(CS[C@H]2CCN(c3ccccc3F)C2=O)c1.
What is the InChIKey of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide?
The InChIKey is APRICOZIPHZTID-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-14-6-1-2-7-15(14)21-9-8-16(18(21)23)24-11-12-4-3-5-13(10-12)17(20)22/h1-7,10,16H,8-9,11H2,(H2,20,22)/t16-/m0/s1.
What are the key properties of 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide?
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 96530782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).