2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid

C15H18N2O3S — CID 51469362

IUPAC2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
SMILESCC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)O
InChIInChI=1S/C15H18N2O3S/c1-10(2)9-16-12(8-13(18)19)14(20)17(15(16)21)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyJODHQTBTAIUZBT-GFCCVEGCSA-N
MW306.39 g/mol
LogP2.12
Rot. Bonds5

About 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid

2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid (PubChem CID 51469362) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
PubChem CID51469362
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
SMILESCC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)O
InChIInChI=1S/C15H18N2O3S/c1-10(2)9-16-12(8-13(18)19)14(20)17(15(16)21)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyJODHQTBTAIUZBT-GFCCVEGCSA-N
XLogP2.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-methoxypropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 18801819
(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 172524175
3-[(5S)-4-oxo-3-phenyl-5-propan-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 101436550
2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
CID 6939094
2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
CID 19011138
N-(4-methoxyphenyl)-2-[(4R)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 40807784
5-(2-chloroacetyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054936
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4202324
2-[(4R)-3-[2-(2-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 1025495
N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 175653787
2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
CID 7456206

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid (CID 51469362) is 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid is CC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)O.
What is the InChIKey of 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid?
The InChIKey is JODHQTBTAIUZBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(2)9-16-12(8-13(18)19)14(20)17(15(16)21)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid?
2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid has a molecular weight of 306.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 51469362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).