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

C15H22N2O5S — CID 95299403

IUPAC1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C15H22N2O5S/c1-23(19,20)9-8-22-13-5-2-4-12(10-13)17-15(18)16-11-14-6-3-7-21-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,16,17,18)/t14-/m1/s1
InChIKeyAXKWZUXHIZOSBD-CQSZACIVSA-N
MW342.42 g/mol
LogP1.41
Rot. Bonds7

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

1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 95299403) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID95299403
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C15H22N2O5S/c1-23(19,20)9-8-22-13-5-2-4-12(10-13)17-15(18)16-11-14-6-3-7-21-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,16,17,18)/t14-/m1/s1
InChIKeyAXKWZUXHIZOSBD-CQSZACIVSA-N
XLogP1.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101
N-(oxolan-2-ylmethyl)-2-(3-propoxyanilino)acetamide
CID 54825001
1-[[(4R)-1,3-dioxan-4-yl]methyl]-3-[3-(3-methylbutoxy)phenyl]urea
CID 97252291
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 70921160
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
CID 55527219
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616240
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
CID 60572820
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 95299403) is 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is CS(=O)(=O)CCOc1cccc(NC(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is AXKWZUXHIZOSBD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-23(19,20)9-8-22-13-5-2-4-12(10-13)17-15(18)16-11-14-6-3-7-21-14/h2,4-5,10,14H,3,6-9,11H2,1H3,(H2,16,17,18)/t14-/m1/s1.
What are the key properties of 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 342.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95299403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).