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

C20H19FN2O2S — CID 55697476

IUPAC3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN2O2S/c1-23(13-19-6-3-11-26-19)20(24)22-17-4-2-5-18(12-17)25-14-15-7-9-16(21)10-8-15/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyKOXSQFZFIUCEEY-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.13
Rot. Bonds6

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

3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 55697476) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID55697476
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H19FN2O2S/c1-23(13-19-6-3-11-26-19)20(24)22-17-4-2-5-18(12-17)25-14-15-7-9-16(21)10-8-15/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyKOXSQFZFIUCEEY-UHFFFAOYSA-N
XLogP5.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55743890
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55819422
3-[3-[(3-fluorophenyl)methoxy]phenyl]-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 52667538
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55697541
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 38033802
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea (CID 55697476) is 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is KOXSQFZFIUCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-23(13-19-6-3-11-26-19)20(24)22-17-4-2-5-18(12-17)25-14-15-7-9-16(21)10-8-15/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea?
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 370.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 55697476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).