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

C17H19FN2O2S — CID 1460441

IUPAC3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C17H19FN2O2S/c18-13-5-7-14(8-6-13)19-17(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h2,4-8,10,15H,1,3,9,11-12H2,(H,19,21)/t15-/m0/s1
InChIKeyMNLSQDFATUBXFU-HNNXBMFYSA-N
MW334.42 g/mol
LogP4.10
Rot. Bonds5

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

3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 1460441) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID1460441
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
SMILESO=C(Nc1ccc(F)cc1)N(Cc1cccs1)C[C@@H]1CCCO1
InChIInChI=1S/C17H19FN2O2S/c18-13-5-7-14(8-6-13)19-17(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h2,4-8,10,15H,1,3,9,11-12H2,(H,19,21)/t15-/m0/s1
InChIKeyMNLSQDFATUBXFU-HNNXBMFYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea (CID 1460441) is 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea is O=C(Nc1ccc(F)cc1)N(Cc1cccs1)C[C@@H]1CCCO1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is MNLSQDFATUBXFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-13-5-7-14(8-6-13)19-17(21)20(11-15-3-1-9-22-15)12-16-4-2-10-23-16/h2,4-8,10,15H,1,3,9,11-12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea?
3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 1460441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).