N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide

C12H12Cl2N2O2S — CID 2798438

IUPACN-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide
SMILESO=C(NC(=O)N1CCSCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O2S/c13-8-2-1-3-9(14)10(8)11(17)15-12(18)16-4-6-19-7-5-16/h1-3H,4-7H2,(H,15,17,18)
InChIKeyMUXFSMOAUIBJDU-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.89
Rot. Bonds1

About N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide

N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide (PubChem CID 2798438) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide
PubChem CID2798438
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC NameN-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide
SMILESO=C(NC(=O)N1CCSCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O2S/c13-8-2-1-3-9(14)10(8)11(17)15-12(18)16-4-6-19-7-5-16/h1-3H,4-7H2,(H,15,17,18)
InChIKeyMUXFSMOAUIBJDU-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide (CID 2798438) is N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide is O=C(NC(=O)N1CCSCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide?
The InChIKey is MUXFSMOAUIBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c13-8-2-1-3-9(14)10(8)11(17)15-12(18)16-4-6-19-7-5-16/h1-3H,4-7H2,(H,15,17,18).
What are the key properties of N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide?
N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide has a molecular weight of 319.21 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorobenzoyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 2798438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).