1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

C24H26FN3O2S — CID 60548774

IUPAC1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C24H26FN3O2S/c25-21-8-6-20(7-9-21)23(22-5-2-14-31-22)27-24(29)26-16-18-3-1-4-19(15-18)17-28-10-12-30-13-11-28/h1-9,14-15,23H,10-13,16-17H2,(H2,26,27,29)
InChIKeyMDHGJQCZBMFLSI-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.31
Rot. Bonds7

About 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 60548774) has the molecular formula C24H26FN3O2S and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID60548774
Molecular FormulaC24H26FN3O2S
Molecular Weight439.56 g/mol
Exact Mass439.17
IUPAC Name1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C24H26FN3O2S/c25-21-8-6-20(7-9-21)23(22-5-2-14-31-22)27-24(29)26-16-18-3-1-4-19(15-18)17-28-10-12-30-13-11-28/h1-9,14-15,23H,10-13,16-17H2,(H2,26,27,29)
InChIKeyMDHGJQCZBMFLSI-UHFFFAOYSA-N
XLogP4.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55923362
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55922918
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 42952724
1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548027
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 46571477
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46566179
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
1-[(1R)-1-(3-chloro-4-fluorophenyl)ethyl]-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 52504531

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 60548774) is 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is O=C(NCc1cccc(CN2CCOCC2)c1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is MDHGJQCZBMFLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S/c25-21-8-6-20(7-9-21)23(22-5-2-14-31-22)27-24(29)26-16-18-3-1-4-19(15-18)17-28-10-12-30-13-11-28/h1-9,14-15,23H,10-13,16-17H2,(H2,26,27,29).
What are the key properties of 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 439.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 60548774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).