2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide

C13H17N3O3S — CID 11254914

IUPAC2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
SMILESCOc1ccc(N2CCOCC2)cc1NC(=S)C(N)=O
InChIInChI=1S/C13H17N3O3S/c1-18-11-3-2-9(16-4-6-19-7-5-16)8-10(11)15-13(20)12(14)17/h2-3,8H,4-7H2,1H3,(H2,14,17)(H,15,20)
InChIKeyBYOQLAAWDJUDGX-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.76
Rot. Bonds3

About 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide

2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide (PubChem CID 11254914) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
PubChem CID11254914
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
SMILESCOc1ccc(N2CCOCC2)cc1NC(=S)C(N)=O
InChIInChI=1S/C13H17N3O3S/c1-18-11-3-2-9(16-4-6-19-7-5-16)8-10(11)15-13(20)12(14)17/h2-3,8H,4-7H2,1H3,(H2,14,17)(H,15,20)
InChIKeyBYOQLAAWDJUDGX-UHFFFAOYSA-N
XLogP0.76
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
2-(4-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110355315
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
1-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110613966
N-(2-methoxy-5-piperidin-1-ylphenyl)cyclobutanecarboxamide
CID 110426214
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
2-(2-methoxyanilino)-2-sulfanylideneacetamide
CID 15526121
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
3-[(2-methoxy-5-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 110613237

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide?
The IUPAC name of 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide (CID 11254914) is 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide is COc1ccc(N2CCOCC2)cc1NC(=S)C(N)=O.
What is the InChIKey of 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide?
The InChIKey is BYOQLAAWDJUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-18-11-3-2-9(16-4-6-19-7-5-16)8-10(11)15-13(20)12(14)17/h2-3,8H,4-7H2,1H3,(H2,14,17)(H,15,20).
What are the key properties of 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide?
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide has a molecular weight of 295.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide is sourced from PubChem (CID 11254914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).