N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide

C12H13ClN2O2S — CID 2229628

IUPACN-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=S)N1CCOCC1
InChIInChI=1S/C12H13ClN2O2S/c13-9-1-3-10(4-2-9)14-11(16)12(18)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16)
InChIKeyOQRKEJYXIFGNSL-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.94
Rot. Bonds1

About N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide

N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 2229628) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID2229628
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=S)N1CCOCC1
InChIInChI=1S/C12H13ClN2O2S/c13-9-1-3-10(4-2-9)14-11(16)12(18)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16)
InChIKeyOQRKEJYXIFGNSL-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 2229628) is N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide is O=C(Nc1ccc(Cl)cc1)C(=S)N1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is OQRKEJYXIFGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-9-1-3-10(4-2-9)14-11(16)12(18)15-5-7-17-8-6-15/h1-4H,5-8H2,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 284.77 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 2229628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).