N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide

C15H18F2N2O3S — CID 95285548

IUPACN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O3S/c16-11-4-3-10(7-12(11)17)15(20)18-13-8-23(21,22)9-14(13)19-5-1-2-6-19/h3-4,7,13-14H,1-2,5-6,8-9H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyGTWOWIZCFMJZDB-ZIAGYGMSSA-N
MW344.38 g/mol
LogP0.96
Rot. Bonds3

About N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide

N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide (PubChem CID 95285548) has the molecular formula C15H18F2N2O3S and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
PubChem CID95285548
Molecular FormulaC15H18F2N2O3S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H18F2N2O3S/c16-11-4-3-10(7-12(11)17)15(20)18-13-8-23(21,22)9-14(13)19-5-1-2-6-19/h3-4,7,13-14H,1-2,5-6,8-9H2,(H,18,20)/t13-,14-/m1/s1
InChIKeyGTWOWIZCFMJZDB-ZIAGYGMSSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide with MolForge

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Related Compounds

3-cyano-N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]benzamide
CID 95290887
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-fluoro-3-sulfanylbenzamide
CID 107025814
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 95352761
N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 95789722
N-[(3R,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-6-methylpyridine-2-carboxamide
CID 95288837
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
CID 95298515
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-(2-aminocyclopropyl)-3,4-difluorobenzamide
CID 43593845
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
CID 95302844

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide (CID 95285548) is N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide is O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide?
The InChIKey is GTWOWIZCFMJZDB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18F2N2O3S/c16-11-4-3-10(7-12(11)17)15(20)18-13-8-23(21,22)9-14(13)19-5-1-2-6-19/h3-4,7,13-14H,1-2,5-6,8-9H2,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide?
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide has a molecular weight of 344.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 95285548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).