1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one

C13H15ClN2O2S — CID 99825904

IUPAC1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
SMILESC[C@H](SCc1ccccc1Cl)C(=O)N1CCNC1=O
InChIInChI=1S/C13H15ClN2O2S/c1-9(12(17)16-7-6-15-13(16)18)19-8-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyXPZQNSPTJKCNHX-VIFPVBQESA-N
MW298.79 g/mol
LogP2.51
Rot. Bonds4

About 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one

1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 99825904) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
PubChem CID99825904
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
SMILESC[C@H](SCc1ccccc1Cl)C(=O)N1CCNC1=O
InChIInChI=1S/C13H15ClN2O2S/c1-9(12(17)16-7-6-15-13(16)18)19-8-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyXPZQNSPTJKCNHX-VIFPVBQESA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[(2-methylphenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 8972263
(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9057785
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 103289074
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8955988
methyl 3-[(2-chlorophenyl)methylsulfanyl]-2-methylbutanoate
CID 103287985
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384054
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384055

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one (CID 99825904) is 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one is C[C@H](SCc1ccccc1Cl)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is XPZQNSPTJKCNHX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-9(12(17)16-7-6-15-13(16)18)19-8-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one?
1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 298.79 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 99825904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).