N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide

C16H24N4O3S — CID 122609252

IUPACN-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCNNC(=S)NC(=O)Cc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C16H24N4O3S/c1-17-19-16(24)18-15(21)12-13-3-2-4-14(11-13)23-10-7-20-5-8-22-9-6-20/h2-4,11,17H,5-10,12H2,1H3,(H2,18,19,21,24)
InChIKeyWCJULEPKMRQMQG-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.07
Rot. Bonds7

About N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide

N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide (PubChem CID 122609252) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide
PubChem CID122609252
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide
SMILESCNNC(=S)NC(=O)Cc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C16H24N4O3S/c1-17-19-16(24)18-15(21)12-13-3-2-4-14(11-13)23-10-7-20-5-8-22-9-6-20/h2-4,11,17H,5-10,12H2,1H3,(H2,18,19,21,24)
InChIKeyWCJULEPKMRQMQG-UHFFFAOYSA-N
XLogP0.07
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
5-methyl-N-[2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 48626846
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 91839442
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511

Frequently Asked Questions

What is the IUPAC name of N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The IUPAC name of N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide (CID 122609252) is N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide.
What is the SMILES notation for N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The canonical SMILES for N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide is CNNC(=S)NC(=O)Cc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide?
The InChIKey is WCJULEPKMRQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-17-19-16(24)18-15(21)12-13-3-2-4-14(11-13)23-10-7-20-5-8-22-9-6-20/h2-4,11,17H,5-10,12H2,1H3,(H2,18,19,21,24).
What are the key properties of N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide?
N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminocarbamothioyl)-2-[3-(2-morpholin-4-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 122609252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).