1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea

C18H26FN3O2S — CID 38360502

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
SMILESO=C(NCCc1ccccc1F)NC[C@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C18H26FN3O2S/c19-16-4-2-1-3-15(16)5-7-20-17(23)21-13-18(6-12-25-14-18)22-8-10-24-11-9-22/h1-4H,5-14H2,(H2,20,21,23)/t18-/m1/s1
InChIKeyUSPDGVKQHDMEPW-GOSISDBHSA-N
MW367.49 g/mol
LogP1.88
Rot. Bonds6

About 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea

1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea (PubChem CID 38360502) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
PubChem CID38360502
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
SMILESO=C(NCCc1ccccc1F)NC[C@]1(N2CCOCC2)CCSC1
InChIInChI=1S/C18H26FN3O2S/c19-16-4-2-1-3-15(16)5-7-20-17(23)21-13-18(6-12-25-14-18)22-8-10-24-11-9-22/h1-4H,5-14H2,(H2,20,21,23)/t18-/m1/s1
InChIKeyUSPDGVKQHDMEPW-GOSISDBHSA-N
XLogP1.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
CID 118398512
1-(2-Morpholin-4-ylethyl)-3-(3-phenylpropyl)urea
CID 34702817
1-(4-Fluorobenzyl)-3-(2-morpholino-2-(thiophen-3-yl)ethyl)urea
CID 44025379
1-[(4-Fluorophenyl)methyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 53532634
1-[(4-Fluorophenyl)methyl]-1-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 53535086
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 71855699
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
1-(2-Morpholino-2-(thiophen-3-yl)ethyl)-3-(3-phenylpropyl)urea
CID 44025374
1-(2-Morpholino-2-(thiophen-3-yl)ethyl)-3-phenethylurea
CID 44025378
N-benzyl-3-(morpholinomethyl)-1,4-thiazepane-4-carboxamide
CID 71801901

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea (CID 38360502) is 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea is O=C(NCCc1ccccc1F)NC[C@]1(N2CCOCC2)CCSC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
The InChIKey is USPDGVKQHDMEPW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c19-16-4-2-1-3-15(16)5-7-20-17(23)21-13-18(6-12-25-14-18)22-8-10-24-11-9-22/h1-4H,5-14H2,(H2,20,21,23)/t18-/m1/s1.
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea has a molecular weight of 367.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea is sourced from PubChem (CID 38360502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).