1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

C19H21FN2O2S — CID 125173472

IUPAC1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESO=C(NC[C@H]1CCOC1)Nc1ccccc1SCc1ccccc1F
InChIInChI=1S/C19H21FN2O2S/c20-16-6-2-1-5-15(16)13-25-18-8-4-3-7-17(18)22-19(23)21-11-14-9-10-24-12-14/h1-8,14H,9-13H2,(H2,21,22,23)/t14-/m1/s1
InChIKeyBOJSGMRCULJKTN-CQSZACIVSA-N
MW360.45 g/mol
LogP4.28
Rot. Bonds6

About 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea

1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 125173472) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID125173472
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
SMILESO=C(NC[C@H]1CCOC1)Nc1ccccc1SCc1ccccc1F
InChIInChI=1S/C19H21FN2O2S/c20-16-6-2-1-5-15(16)13-25-18-8-4-3-7-17(18)22-19(23)21-11-14-9-10-24-12-14/h1-8,14H,9-13H2,(H2,21,22,23)/t14-/m1/s1
InChIKeyBOJSGMRCULJKTN-CQSZACIVSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 55092520
1-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 124607773
1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3R)-oxolan-3-yl]propyl]urea
CID 97437885
1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3S)-oxolan-3-yl]propyl]urea
CID 97437886
1-(2-fluorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106125111
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]acetamide
CID 17132200
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea (CID 125173472) is 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is O=C(NC[C@H]1CCOC1)Nc1ccccc1SCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is BOJSGMRCULJKTN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-16-6-2-1-5-15(16)13-25-18-8-4-3-7-17(18)22-19(23)21-11-14-9-10-24-12-14/h1-8,14H,9-13H2,(H2,21,22,23)/t14-/m1/s1.
What are the key properties of 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea?
1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 360.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 125173472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).