2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide

C18H16N2O3S — CID 709521

IUPAC2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1
InChIInChI=1S/C18H16N2O3S/c21-16(19-13-7-3-1-4-8-13)12-24-15-11-17(22)20(18(15)23)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m1/s1
InChIKeyUDRMXNDNRKZTRX-OAHLLOKOSA-N
MW340.40 g/mol
LogP2.69
Rot. Bonds5

About 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide

2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide (PubChem CID 709521) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
PubChem CID709521
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1
InChIInChI=1S/C18H16N2O3S/c21-16(19-13-7-3-1-4-8-13)12-24-15-11-17(22)20(18(15)23)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m1/s1
InChIKeyUDRMXNDNRKZTRX-OAHLLOKOSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
N-(4-bromophenyl)-2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 1070809
N-(4-acetylphenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 8712800
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 1243819
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 66488896
N-(4-methylphenyl)-2-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
CID 2146860
N-(2-chlorophenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 7393004
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7372003
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide
CID 27136917
3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7366811
2-[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-phenylacetamide
CID 2215401

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide (CID 709521) is 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide is O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide?
The InChIKey is UDRMXNDNRKZTRX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-16(19-13-7-3-1-4-8-13)12-24-15-11-17(22)20(18(15)23)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)/t15-/m1/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide?
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide has a molecular weight of 340.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 709521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).