2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C13H15Cl2NO3S — CID 95284133

IUPAC2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-13(4-5-20(18,19)8-13)16-12(17)7-9-6-10(14)2-3-11(9)15/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyBPCMIXYNJWPBSE-CYBMUJFWSA-N
MW336.24 g/mol
LogP2.23
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 95284133) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID95284133
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC Name2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-13(4-5-20(18,19)8-13)16-12(17)7-9-6-10(14)2-3-11(9)15/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyBPCMIXYNJWPBSE-CYBMUJFWSA-N
XLogP2.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 2555248
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616439
2-(6-chloro-4H-1,3-benzodioxin-8-yl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 37029479
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604101
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
1-(4-chlorophenyl)-3-(3-methyl-1,1-dioxothiolan-3-yl)urea
CID 43827990
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
N-[(5-bromo-2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 103952668
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 8591193
N-(4-chloro-2-methylphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18124417

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 95284133) is 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is C[C@@]1(NC(=O)Cc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is BPCMIXYNJWPBSE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-13(4-5-20(18,19)8-13)16-12(17)7-9-6-10(14)2-3-11(9)15/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 336.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 95284133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).