[5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea

C18H23N3O2S — CID 91589389

IUPAC[5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea
SMILESCC1CN(Cc2ccc(-c3ccc(NC(N)=O)s3)cc2)CC(C)O1
InChIInChI=1S/C18H23N3O2S/c1-12-9-21(10-13(2)23-12)11-14-3-5-15(6-4-14)16-7-8-17(24-16)20-18(19)22/h3-8,12-13H,9-11H2,1-2H3,(H3,19,20,22)
InChIKeyZOTULXONXBOUFR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.51
Rot. Bonds4

About [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea

[5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea (PubChem CID 91589389) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea.

Molecular Properties

Compound Name[5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea
PubChem CID91589389
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea
SMILESCC1CN(Cc2ccc(-c3ccc(NC(N)=O)s3)cc2)CC(C)O1
InChIInChI=1S/C18H23N3O2S/c1-12-9-21(10-13(2)23-12)11-14-3-5-15(6-4-14)16-7-8-17(24-16)20-18(19)22/h3-8,12-13H,9-11H2,1-2H3,(H3,19,20,22)
InChIKeyZOTULXONXBOUFR-UHFFFAOYSA-N
XLogP3.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea with MolForge

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 24703494
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758638
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24700962
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893240
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 55624645

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea?
The IUPAC name of [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea (CID 91589389) is [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea.
What is the SMILES notation for [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea?
The canonical SMILES for [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea is CC1CN(Cc2ccc(-c3ccc(NC(N)=O)s3)cc2)CC(C)O1.
What is the InChIKey of [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea?
The InChIKey is ZOTULXONXBOUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-9-21(10-13(2)23-12)11-14-3-5-15(6-4-14)16-7-8-17(24-16)20-18(19)22/h3-8,12-13H,9-11H2,1-2H3,(H3,19,20,22).
What are the key properties of [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea?
[5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea has a molecular weight of 345.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]thiophen-2-yl]urea is sourced from PubChem (CID 91589389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).