1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea

C15H21ClN2O3S — CID 98875908

IUPAC1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
SMILESC[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[S@@](C)=O
InChIInChI=1S/C15H21ClN2O3S/c1-10(22(2)20)9-17-15(19)18-13-7-8-21-14(13)11-3-5-12(16)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3,(H2,17,18,19)/t10-,13-,14-,22-/m1/s1
InChIKeyLWKJQHQNDAUQHE-ZUXCMDADSA-N
MW344.86 g/mol
LogP2.24
Rot. Bonds5

About 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea

1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea (PubChem CID 98875908) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea.

Molecular Properties

Compound Name1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
PubChem CID98875908
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
SMILESC[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[S@@](C)=O
InChIInChI=1S/C15H21ClN2O3S/c1-10(22(2)20)9-17-15(19)18-13-7-8-21-14(13)11-3-5-12(16)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3,(H2,17,18,19)/t10-,13-,14-,22-/m1/s1
InChIKeyLWKJQHQNDAUQHE-ZUXCMDADSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
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CID 97128270
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
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CID 97122784
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CID 99717936
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100660010
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea?
The IUPAC name of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea (CID 98875908) is 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea.
What is the SMILES notation for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea?
The canonical SMILES for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea is C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[S@@](C)=O.
What is the InChIKey of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea?
The InChIKey is LWKJQHQNDAUQHE-ZUXCMDADSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-10(22(2)20)9-17-15(19)18-13-7-8-21-14(13)11-3-5-12(16)6-4-11/h3-6,10,13-14H,7-9H2,1-2H3,(H2,17,18,19)/t10-,13-,14-,22-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea?
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea has a molecular weight of 344.86 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea is sourced from PubChem (CID 98875908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).