N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide

C14H18FNO4S2 — CID 95333812

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide
SMILESO=C(CSCCOc1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18FNO4S2/c15-11-2-1-3-13(8-11)20-5-6-21-9-14(17)16-12-4-7-22(18,19)10-12/h1-3,8,12H,4-7,9-10H2,(H,16,17)/t12-/m0/s1
InChIKeyFWIFITOTYAUQMI-LBPRGKRZSA-N
MW347.43 g/mol
LogP1.24
Rot. Bonds7

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide (PubChem CID 95333812) has the molecular formula C14H18FNO4S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide
PubChem CID95333812
Molecular FormulaC14H18FNO4S2
Molecular Weight347.43 g/mol
Exact Mass347.07
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide
SMILESO=C(CSCCOc1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H18FNO4S2/c15-11-2-1-3-13(8-11)20-5-6-21-9-14(17)16-12-4-7-22(18,19)10-12/h1-3,8,12H,4-7,9-10H2,(H,16,17)/t12-/m0/s1
InChIKeyFWIFITOTYAUQMI-LBPRGKRZSA-N
XLogP1.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 26633008
2-[(3-chlorophenyl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51168866
N-(1,1-dioxothiolan-3-yl)-2-(3-hexoxyphenoxy)acetamide
CID 4733336
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 55306777

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide (CID 95333812) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide is O=C(CSCCOc1cccc(F)c1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide?
The InChIKey is FWIFITOTYAUQMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18FNO4S2/c15-11-2-1-3-13(8-11)20-5-6-21-9-14(17)16-12-4-7-22(18,19)10-12/h1-3,8,12H,4-7,9-10H2,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 95333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).