2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide

C16H20FNO4S — CID 167937866

IUPAC2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESO=C(COc1cccc(C2CC2)c1F)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H20FNO4S/c17-16-13(12-4-5-12)2-1-3-14(16)22-9-15(19)18-8-11-6-7-23(20,21)10-11/h1-3,11-12H,4-10H2,(H,18,19)
InChIKeyAOQLHARXVDISLB-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.63
Rot. Bonds6

About 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide

2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (PubChem CID 167937866) has the molecular formula C16H20FNO4S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
PubChem CID167937866
Molecular FormulaC16H20FNO4S
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESO=C(COc1cccc(C2CC2)c1F)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C16H20FNO4S/c17-16-13(12-4-5-12)2-1-3-14(16)22-9-15(19)18-8-11-6-7-23(20,21)10-11/h1-3,11-12H,4-10H2,(H,18,19)
InChIKeyAOQLHARXVDISLB-UHFFFAOYSA-N
XLogP1.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
2-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 94006290
2-[(3S)-1,1-dioxothiolan-3-yl]-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 8938962
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 71898156
4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213
2-[4-(aminomethyl)phenyl]-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63590687
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetohydrazide
CID 8939667
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylsulfanylacetamide
CID 47156935
3-(2-bromophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 47282656
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-fluoro-2-methoxybenzamide
CID 94020752

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (CID 167937866) is 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is O=C(COc1cccc(C2CC2)c1F)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The InChIKey is AOQLHARXVDISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4S/c17-16-13(12-4-5-12)2-1-3-14(16)22-9-15(19)18-8-11-6-7-23(20,21)10-11/h1-3,11-12H,4-10H2,(H,18,19).
What are the key properties of 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide has a molecular weight of 341.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2-fluorophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 167937866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).