N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide

C12H15NO4S — CID 2850487

IUPACN-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H15NO4S/c14-12(8-17-11-4-2-1-3-5-11)13-10-6-7-18(15,16)9-10/h1-5,10H,6-9H2,(H,13,14)
InChIKeyBWXNTDHKSXQTIP-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.37
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide

N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide (PubChem CID 2850487) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
PubChem CID2850487
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H15NO4S/c14-12(8-17-11-4-2-1-3-5-11)13-10-6-7-18(15,16)9-10/h1-5,10H,6-9H2,(H,13,14)
InChIKeyBWXNTDHKSXQTIP-UHFFFAOYSA-N
XLogP0.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide (CID 2850487) is N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide?
The InChIKey is BWXNTDHKSXQTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-12(8-17-11-4-2-1-3-5-11)13-10-6-7-18(15,16)9-10/h1-5,10H,6-9H2,(H,13,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide?
N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide has a molecular weight of 269.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2850487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).