2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C19H20ClNO4S — CID 42896247

IUPAC2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C19H20ClNO4S/c1-19(9-10-26(23,24)13-19)21-18(22)12-25-17-8-7-15(11-16(17)20)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyHNTDXGXFJJSJPY-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.08
Rot. Bonds5

About 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 42896247) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID42896247
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C19H20ClNO4S/c1-19(9-10-26(23,24)13-19)21-18(22)12-25-17-8-7-15(11-16(17)20)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyHNTDXGXFJJSJPY-UHFFFAOYSA-N
XLogP3.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 18157918
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-acetamidophenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7867185
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146147
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
2-(1-formylnaphthalen-2-yl)oxy-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7763166
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
4-methyl-2-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzamide
CID 31522879
2-(4-bromo-2-formylphenoxy)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7819853
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 8708036
2-(3-cyanophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7963914

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 42896247) is 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HNTDXGXFJJSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c1-19(9-10-26(23,24)13-19)21-18(22)12-25-17-8-7-15(11-16(17)20)14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 393.89 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 42896247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).