N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide

C12H12Cl2N2O2S — CID 91902464

IUPACN-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(=S)N1CCOCC1
InChIInChI=1S/C12H12Cl2N2O2S/c13-8-2-1-3-9(10(8)14)15-11(17)12(19)16-4-6-18-7-5-16/h1-3H,4-7H2,(H,15,17)
InChIKeyPITVVLFPIMRYRK-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.59
Rot. Bonds1

About N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide

N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 91902464) has the molecular formula C12H12Cl2N2O2S and a molecular weight of 319.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID91902464
Molecular FormulaC12H12Cl2N2O2S
Molecular Weight319.21 g/mol
Exact Mass318.00
IUPAC NameN-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C(=S)N1CCOCC1
InChIInChI=1S/C12H12Cl2N2O2S/c13-8-2-1-3-9(10(8)14)15-11(17)12(19)16-4-6-18-7-5-16/h1-3H,4-7H2,(H,15,17)
InChIKeyPITVVLFPIMRYRK-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide
CID 91902466
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 59738066
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184910
N-(2,3-dichlorophenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30271008
N-(2,3-dichlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108500745
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
2,4-dichloro-N-(2,3-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 55345927
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
5-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzene-1,3-dicarboxylic acid
CID 91902474
N-[3-chloro-4-[(2-piperidin-1-yl-2-sulfanylideneacetyl)amino]phenyl]-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17384563

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 91902464) is N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide is O=C(Nc1cccc(Cl)c1Cl)C(=S)N1CCOCC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is PITVVLFPIMRYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S/c13-8-2-1-3-9(10(8)14)15-11(17)12(19)16-4-6-18-7-5-16/h1-3H,4-7H2,(H,15,17).
What are the key properties of N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 319.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 91902464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).