1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea

C13H17F2N3O4S — CID 97285718

IUPAC1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2N3O4S/c1-23(20,21)18-5-6-22-9(8-18)7-16-13(19)17-11-4-2-3-10(14)12(11)15/h2-4,9H,5-8H2,1H3,(H2,16,17,19)/t9-/m0/s1
InChIKeyJFKXVSJPKUHKBI-VIFPVBQESA-N
MW349.36 g/mol
LogP0.75
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea

1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea (PubChem CID 97285718) has the molecular formula C13H17F2N3O4S and a molecular weight of 349.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
PubChem CID97285718
Molecular FormulaC13H17F2N3O4S
Molecular Weight349.36 g/mol
Exact Mass349.09
IUPAC Name1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)Nc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2N3O4S/c1-23(20,21)18-5-6-22-9(8-18)7-16-13(19)17-11-4-2-3-10(14)12(11)15/h2-4,9H,5-8H2,1H3,(H2,16,17,19)/t9-/m0/s1
InChIKeyJFKXVSJPKUHKBI-VIFPVBQESA-N
XLogP0.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea with MolForge

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Related Compounds

N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
N-[(2-fluorophenyl)methyl]-2-[(4-methylsulfonylmorpholin-2-yl)methylamino]acetamide
CID 50979216
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
1-(6-methoxy-1,3-benzodioxol-5-yl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97270309
1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 118782940
1-(1-ethyltriazol-4-yl)-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 125166321
1-(1H-indazol-5-yl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 72916049
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
(2S)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278282
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
(2R)-N-(2,3-difluorophenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97278281
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea (CID 97285718) is 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea is CS(=O)(=O)N1CCO[C@@H](CNC(=O)Nc2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
The InChIKey is JFKXVSJPKUHKBI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17F2N3O4S/c1-23(20,21)18-5-6-22-9(8-18)7-16-13(19)17-11-4-2-3-10(14)12(11)15/h2-4,9H,5-8H2,1H3,(H2,16,17,19)/t9-/m0/s1.
What are the key properties of 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea?
1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea has a molecular weight of 349.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea is sourced from PubChem (CID 97285718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).