1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea

C15H21N3O3S — CID 49284029

IUPAC1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
SMILESCOCCNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C15H21N3O3S/c1-21-8-5-16-15(20)17-13-4-2-3-12(11-13)14(19)18-6-9-22-10-7-18/h2-4,11H,5-10H2,1H3,(H2,16,17,20)
InChIKeyAYFFTVLNACWMDW-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.64
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea

1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea (PubChem CID 49284029) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
PubChem CID49284029
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
SMILESCOCCNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C15H21N3O3S/c1-21-8-5-16-15(20)17-13-4-2-3-12(11-13)14(19)18-6-9-22-10-7-18/h2-4,11H,5-10H2,1H3,(H2,16,17,20)
InChIKeyAYFFTVLNACWMDW-UHFFFAOYSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
2-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 119309628
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
1-(3-benzamidobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 46387291
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
2-amino-2-methyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119309623
N-(2-methoxyethylcarbamoyl)-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 55896994
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
N-(2-methoxyethyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818
4-amino-N-[3-(thiomorpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 120561677
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea (CID 49284029) is 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea is COCCNC(=O)Nc1cccc(C(=O)N2CCSCC2)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea?
The InChIKey is AYFFTVLNACWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-21-8-5-16-15(20)17-13-4-2-3-12(11-13)14(19)18-6-9-22-10-7-18/h2-4,11H,5-10H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea?
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea has a molecular weight of 323.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 49284029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).