2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate

C17H13N2O3S- — CID 6939094

IUPAC2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
SMILESO=C([O-])C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1
InChIInChI=1S/C17H14N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23)18(14)12-7-3-1-4-8-12/h1-10,14H,11H2,(H,20,21)/p-1/t14-/m0/s1
InChIKeyYUOIZOQWJILKLB-AWEZNQCLSA-M
MW325.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate

2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate (PubChem CID 6939094) has the molecular formula C17H13N2O3S- and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate.

Molecular Properties

Compound Name2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
PubChem CID6939094
Molecular FormulaC17H13N2O3S-
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate
SMILESO=C([O-])C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1
InChIInChI=1S/C17H14N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23)18(14)12-7-3-1-4-8-12/h1-10,14H,11H2,(H,20,21)/p-1/t14-/m0/s1
InChIKeyYUOIZOQWJILKLB-AWEZNQCLSA-M
XLogP1.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
CID 3815704
(5S)-1-methyl-5-(2-oxopropyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 172524175
5-(2-chloroacetyl)-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15054936
2-[(4R)-3-(2-methylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 51469362
2-[3-(3-methoxypropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 18801819
2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
CID 7456206
N-[(5S)-4-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidin-1-yl]benzamide
CID 25407191
2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-oxazolidin-5-yl)acetic acid
CID 19011138
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-[(5S)-5-(2-amino-2-oxoethyl)-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-4-bromobenzamide
CID 1348212
ethyl N-[5-[2-(methylamino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]carbamate
CID 24797225

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate?
The IUPAC name of 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate (CID 6939094) is 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate.
What is the SMILES notation for 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate?
The canonical SMILES for 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate is O=C([O-])C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1.
What is the InChIKey of 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate?
The InChIKey is YUOIZOQWJILKLB-AWEZNQCLSA-M. The full InChI is InChI=1S/C17H14N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23)18(14)12-7-3-1-4-8-12/h1-10,14H,11H2,(H,20,21)/p-1/t14-/m0/s1.
What are the key properties of 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate?
2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate has a molecular weight of 325.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-5-oxo-1,3-diphenyl-2-sulfanylideneimidazolidin-4-yl]acetate is sourced from PubChem (CID 6939094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).