N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

C12H12Cl2N2O2S — CID 593928

IUPACN-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O2S/c13-8-2-1-7(5-9(8)14)16-11(17)6-10-12(18)15-3-4-19-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17)
InChIKeyGPLYEGKLYDKKAN-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.55
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 593928) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID593928
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC NameN-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O2S/c13-8-2-1-7(5-9(8)14)16-11(17)6-10-12(18)15-3-4-19-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17)
InChIKeyGPLYEGKLYDKKAN-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 581511
N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2992022
N-(3,4-dichlorophenyl)-4-thiomorpholinecarboxamide
CID 1225683
S-[2-(3,4-dichloroanilino)-2-oxoethyl] carbamothioate
CID 873462
Metallo-|A-lactamase-IN-2
CID 83773718
3-(2-Amino-ethylsulfanyl)-1-(3,4-dichloro-phenyl)-pyrrolidine-2,5-dione
CID 17385934
(2Z)-N-(3,4-dichlorophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 661493
N-(3-chloro-2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 666797
Ethyl 6-[2-(3,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 2936978
N-(3,5-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 2978829
N-(3-chloro-4-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161809
N~1~-(3,4-Dichlorophenyl)-4-morpholino-4-oxobutanamide
CID 6456922

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 593928) is N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is O=C(CC1SCCNC1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is GPLYEGKLYDKKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c13-8-2-1-7(5-9(8)14)16-11(17)6-10-12(18)15-3-4-19-10/h1-2,5,10H,3-4,6H2,(H,15,18)(H,16,17).
What are the key properties of N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 319.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 593928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).