3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea

C18H16FN3O2S — CID 55743890

IUPAC3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C18H16FN3O2S/c1-22(12-16-3-2-10-25-16)18(23)21-14-6-9-17(20-11-14)24-15-7-4-13(19)5-8-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyYANNTWLZFKLDDP-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.74
Rot. Bonds5

About 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea

3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 55743890) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID55743890
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C18H16FN3O2S/c1-22(12-16-3-2-10-25-16)18(23)21-14-6-9-17(20-11-14)24-15-7-4-13(19)5-8-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyYANNTWLZFKLDDP-UHFFFAOYSA-N
XLogP4.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55697476
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(4-fluorophenoxy)benzoate
CID 24524313
3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-thiophen-2-ylurea
CID 2814277
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea (CID 55743890) is 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is YANNTWLZFKLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-22(12-16-3-2-10-25-16)18(23)21-14-6-9-17(20-11-14)24-15-7-4-13(19)5-8-15/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 357.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55743890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).