1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea

C16H19FN2O3S — CID 94029464

IUPAC1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H19FN2O3S/c1-11(15-6-3-7-23-15)19-16(21)18-9-13(20)10-22-14-5-2-4-12(17)8-14/h2-8,11,13,20H,9-10H2,1H3,(H2,18,19,21)/t11-,13+/m1/s1
InChIKeyQTLFSWLEBUWBQK-YPMHNXCESA-N
MW338.40 g/mol
LogP2.69
Rot. Bonds7

About 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea

1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea (PubChem CID 94029464) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
PubChem CID94029464
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H19FN2O3S/c1-11(15-6-3-7-23-15)19-16(21)18-9-13(20)10-22-14-5-2-4-12(17)8-14/h2-8,11,13,20H,9-10H2,1H3,(H2,18,19,21)/t11-,13+/m1/s1
InChIKeyQTLFSWLEBUWBQK-YPMHNXCESA-N
XLogP2.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 110904600
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94031147
1-[3-(3-methylphenoxy)propyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974850
(2S)-2-hydroxy-3-(1-thiophen-2-ylethylcarbamoylamino)propanoic acid
CID 107838444
1-(3-ethylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81391202
N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
CID 51089018
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
N-[(2R)-3-(3-fluorophenoxy)-2-hydroxypropyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 94654315

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea (CID 94029464) is 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea is C[C@@H](NC(=O)NC[C@H](O)COc1cccc(F)c1)c1cccs1.
What is the InChIKey of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
The InChIKey is QTLFSWLEBUWBQK-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-11(15-6-3-7-23-15)19-16(21)18-9-13(20)10-22-14-5-2-4-12(17)8-14/h2-8,11,13,20H,9-10H2,1H3,(H2,18,19,21)/t11-,13+/m1/s1.
What are the key properties of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea?
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea has a molecular weight of 338.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 94029464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).