2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide

C12H11Cl2NO3S — CID 653735

IUPAC2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CCSC1=O
InChIInChI=1S/C12H11Cl2NO3S/c13-7-1-2-10(8(14)5-7)18-6-11(16)15-9-3-4-19-12(9)17/h1-2,5,9H,3-4,6H2,(H,15,16)
InChIKeyGNSSMYZHYCQVSU-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide (PubChem CID 653735) has the molecular formula C12H11Cl2NO3S and a molecular weight of 320.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide
PubChem CID653735
Molecular FormulaC12H11Cl2NO3S
Molecular Weight320.20 g/mol
Exact Mass318.98
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC1CCSC1=O
InChIInChI=1S/C12H11Cl2NO3S/c13-7-1-2-10(8(14)5-7)18-6-11(16)15-9-3-4-19-12(9)17/h1-2,5,9H,3-4,6H2,(H,15,16)
InChIKeyGNSSMYZHYCQVSU-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 4376724
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
4-(4-chlorophenoxy)-N-(2-oxothiolan-3-yl)butanamide
CID 56672559
N-((2,4-Dichlorophenoxy)acetyl)-L-alanine
CID 39753
N-{1-[(2,4-Dichlorophenoxy)acetyl]piperidin-4-Yl}-4-Sulfanylbutanamide
CID 71815954
2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 4995082
2-(2,4-dichlorophenoxy)-N-ethylpropanamide
CID 2912929
N-(2-oxothiolan-3-yl)-2-phenoxyacetamide
CID 2904031
Methionine, N-[2-(2,4-dichlorophenoxy)acetyl]-
CID 98193
N-[(2,4-Dichlorophenoxy)acetyl]valine
CID 23886
2-(2,4-Dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
CID 448572
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide
CID 2862042

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide (CID 653735) is 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NC1CCSC1=O.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide?
The InChIKey is GNSSMYZHYCQVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3S/c13-7-1-2-10(8(14)5-7)18-6-11(16)15-9-3-4-19-12(9)17/h1-2,5,9H,3-4,6H2,(H,15,16).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide has a molecular weight of 320.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-oxothiolan-3-yl)acetamide is sourced from PubChem (CID 653735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).