N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

C16H16FNO3S2 — CID 3970960

IUPACN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1F)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16FNO3S2/c17-15-6-2-1-5-14(15)16(19)18(10-13-4-3-8-22-13)12-7-9-23(20,21)11-12/h1-6,8,12H,7,9-11H2
InChIKeyXJTBCNABBIYXFB-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.72
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide

N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3970960) has the molecular formula C16H16FNO3S2 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3970960
Molecular FormulaC16H16FNO3S2
Molecular Weight353.44 g/mol
Exact Mass353.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1F)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16FNO3S2/c17-15-6-2-1-5-14(15)16(19)18(10-13-4-3-8-22-13)12-7-9-23(20,21)11-12/h1-6,8,12H,7,9-11H2
InChIKeyXJTBCNABBIYXFB-UHFFFAOYSA-N
XLogP2.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide 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 N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide (CID 3970960) is N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccccc1F)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XJTBCNABBIYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S2/c17-15-6-2-1-5-14(15)16(19)18(10-13-4-3-8-22-13)12-7-9-23(20,21)11-12/h1-6,8,12H,7,9-11H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide?
N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3970960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).