2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C13H15F2NO3S2 — CID 8926497

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@]1(NC(=O)CSc2ccc(F)c(F)c2)CCS(=O)(=O)C1
InChIInChI=1S/C13H15F2NO3S2/c1-13(4-5-21(18,19)8-13)16-12(17)7-20-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeySKVRFEFQFIFNLV-ZDUSSCGKSA-N
MW335.40 g/mol
LogP1.75
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 8926497) has the molecular formula C13H15F2NO3S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID8926497
Molecular FormulaC13H15F2NO3S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@]1(NC(=O)CSc2ccc(F)c(F)c2)CCS(=O)(=O)C1
InChIInChI=1S/C13H15F2NO3S2/c1-13(4-5-21(18,19)8-13)16-12(17)7-20-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeySKVRFEFQFIFNLV-ZDUSSCGKSA-N
XLogP1.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 8926497) is 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@]1(NC(=O)CSc2ccc(F)c(F)c2)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is SKVRFEFQFIFNLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15F2NO3S2/c1-13(4-5-21(18,19)8-13)16-12(17)7-20-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 8926497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).