1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one

C13H16N2O3S — CID 35041841

IUPAC1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCOc1cccc(S[C@@H](C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C13H16N2O3S/c1-9(12(16)15-7-6-14-13(15)17)19-11-5-3-4-10(8-11)18-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,17)/t9-/m0/s1
InChIKeySCYVBVVUXXNFPY-VIFPVBQESA-N
MW280.35 g/mol
LogP1.73
Rot. Bonds4

About 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one

1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 35041841) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
PubChem CID35041841
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one
SMILESCOc1cccc(S[C@@H](C)C(=O)N2CCNC2=O)c1
InChIInChI=1S/C13H16N2O3S/c1-9(12(16)15-7-6-14-13(15)17)19-11-5-3-4-10(8-11)18-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,17)/t9-/m0/s1
InChIKeySCYVBVVUXXNFPY-VIFPVBQESA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091670
1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 8800662
1-[(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 40667918
1-(3-methoxybenzoyl)imidazolidin-2-one
CID 54776384
1-[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8789162
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 9062916
1-[(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 41023424
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
1-[2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091387
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
1-[(2R)-2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8554853

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one (CID 35041841) is 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one is COc1cccc(S[C@@H](C)C(=O)N2CCNC2=O)c1.
What is the InChIKey of 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is SCYVBVVUXXNFPY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(12(16)15-7-6-14-13(15)17)19-11-5-3-4-10(8-11)18-2/h3-5,8-9H,6-7H2,1-2H3,(H,14,17)/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one?
1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 280.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-methoxyphenyl)sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 35041841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).