3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide

C19H17IN2O3S — CID 27136917

IUPAC3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide
SMILESO=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H17IN2O3S/c20-13-6-8-14(9-7-13)21-17(23)10-11-26-16-12-18(24)22(19(16)25)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,21,23)/t16-/m1/s1
InChIKeyYVCVHFOFPJOLOC-MRXNPFEDSA-N
MW480.33 g/mol
LogP3.69
Rot. Bonds6

About 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide

3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide (PubChem CID 27136917) has the molecular formula C19H17IN2O3S and a molecular weight of 480.33 g/mol. Its IUPAC name is 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide
PubChem CID27136917
Molecular FormulaC19H17IN2O3S
Molecular Weight480.33 g/mol
Exact Mass480.00
IUPAC Name3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide
SMILESO=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H17IN2O3S/c20-13-6-8-14(9-7-13)21-17(23)10-11-26-16-12-18(24)22(19(16)25)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,21,23)/t16-/m1/s1
InChIKeyYVCVHFOFPJOLOC-MRXNPFEDSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-fluorophenyl)propanamide
CID 7372003
3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7366811
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-phenylacetamide
CID 709521
3-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 51562434
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
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoate
CID 6925384
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
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
N-(4-bromophenyl)-3-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanamide
CID 51562138
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide?
The IUPAC name of 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide (CID 27136917) is 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide?
The canonical SMILES for 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide is O=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide?
The InChIKey is YVCVHFOFPJOLOC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17IN2O3S/c20-13-6-8-14(9-7-13)21-17(23)10-11-26-16-12-18(24)22(19(16)25)15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,21,23)/t16-/m1/s1.
What are the key properties of 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide?
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide has a molecular weight of 480.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 27136917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).