2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide

C12H11Cl3N2O2S — CID 91902466

IUPAC2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=S)N1CCOCC1
InChIInChI=1S/C12H11Cl3N2O2S/c13-7-5-9(15)10(6-8(7)14)16-11(18)12(20)17-1-3-19-4-2-17/h5-6H,1-4H2,(H,16,18)
InChIKeyGNYPYPDQMZQETR-UHFFFAOYSA-N
MW353.66 g/mol
LogP3.24
Rot. Bonds1

About 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide

2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 91902466) has the molecular formula C12H11Cl3N2O2S and a molecular weight of 353.66 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID91902466
Molecular FormulaC12H11Cl3N2O2S
Molecular Weight353.66 g/mol
Exact Mass351.96
IUPAC Name2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=S)N1CCOCC1
InChIInChI=1S/C12H11Cl3N2O2S/c13-7-5-9(15)10(6-8(7)14)16-11(18)12(20)17-1-3-19-4-2-17/h5-6H,1-4H2,(H,16,18)
InChIKeyGNYPYPDQMZQETR-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.66
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902464
5-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzene-1,3-dicarboxylic acid
CID 91902474
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 59738066
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902538
N-[3-chloro-4-[(2-piperidin-1-yl-2-sulfanylideneacetyl)amino]phenyl]-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 17384563
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine-4-carboxamide
CID 47201238
methyl 4-[(2-morpholin-4-yl-2-sulfanylideneacetyl)amino]benzoate
CID 6421421
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17257113
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 91902509
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide (CID 91902466) is 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=S)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is GNYPYPDQMZQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N2O2S/c13-7-5-9(15)10(6-8(7)14)16-11(18)12(20)17-1-3-19-4-2-17/h5-6H,1-4H2,(H,16,18).
What are the key properties of 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide?
2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 353.66 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-sulfanylidene-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 91902466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).