N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

C19H18FNO5S — CID 6601805

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H18FNO5S/c20-15-5-1-13(2-6-15)19(23)14-3-7-17(8-4-14)26-11-18(22)21-16-9-10-27(24,25)12-16/h1-8,16H,9-12H2,(H,21,22)/t16-/m0/s1
InChIKeyHRMZPSUSPSROBH-INIZCTEOSA-N
MW391.42 g/mol
LogP1.74
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (PubChem CID 6601805) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
PubChem CID6601805
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H18FNO5S/c20-15-5-1-13(2-6-15)19(23)14-3-7-17(8-4-14)26-11-18(22)21-16-9-10-27(24,25)12-16/h1-8,16H,9-12H2,(H,21,22)/t16-/m0/s1
InChIKeyHRMZPSUSPSROBH-INIZCTEOSA-N
XLogP1.74
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide with MolForge

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Related Compounds

methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 9318435
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 7259881
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 40918116
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-nitrophenoxy)acetamide
CID 7079987
2-(4-anilinophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27710023
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6601801
N-(1-acetylpiperidin-4-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 55553899
2-(4-butan-2-ylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18165423

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (CID 6601805) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The InChIKey is HRMZPSUSPSROBH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-15-5-1-13(2-6-15)19(23)14-3-7-17(8-4-14)26-11-18(22)21-16-9-10-27(24,25)12-16/h1-8,16H,9-12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.74, 6 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-[4-(4-fluorobenzoyl)phenoxy]acetamide is sourced from PubChem (CID 6601805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).