3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

C18H21FN2O2S — CID 73167821

IUPAC3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(F)cc1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H21FN2O2S/c19-15-5-3-14(4-6-15)12-20-18(22)21(13-17-2-1-11-24-17)16-7-9-23-10-8-16/h1-6,11,16H,7-10,12-13H2,(H,20,22)
InChIKeyHQBHQLRURYWJIS-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.78
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 73167821) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
PubChem CID73167821
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(F)cc1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H21FN2O2S/c19-15-5-3-14(4-6-15)12-20-18(22)21(13-17-2-1-11-24-17)16-7-9-23-10-8-16/h1-6,11,16H,7-10,12-13H2,(H,20,22)
InChIKeyHQBHQLRURYWJIS-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
1-cyclopropyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 55797626
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718176
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
CID 90611125
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610813
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (CID 73167821) is 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is O=C(NCc1ccc(F)cc1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is HQBHQLRURYWJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-15-5-3-14(4-6-15)12-20-18(22)21(13-17-2-1-11-24-17)16-7-9-23-10-8-16/h1-6,11,16H,7-10,12-13H2,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 348.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 73167821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).