1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea

C25H23N3O2S — CID 3473412

IUPAC1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea
SMILESO=C1CC(N(CCc2ccccc2)C(=S)Nc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H23N3O2S/c29-23-18-22(24(30)28(23)21-14-8-3-9-15-21)27(17-16-19-10-4-1-5-11-19)25(31)26-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,31)
InChIKeyBZWRSDZIIFRPQV-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.26
Rot. Bonds6

About 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea

1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea (PubChem CID 3473412) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea
PubChem CID3473412
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea
SMILESO=C1CC(N(CCc2ccccc2)C(=S)Nc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C25H23N3O2S/c29-23-18-22(24(30)28(23)21-14-8-3-9-15-21)27(17-16-19-10-4-1-5-11-19)25(31)26-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,31)
InChIKeyBZWRSDZIIFRPQV-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea (CID 3473412) is 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea is O=C1CC(N(CCc2ccccc2)C(=S)Nc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea?
The InChIKey is BZWRSDZIIFRPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c29-23-18-22(24(30)28(23)21-14-8-3-9-15-21)27(17-16-19-10-4-1-5-11-19)25(31)26-20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,31).
What are the key properties of 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea?
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea has a molecular weight of 429.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-phenyl-1-(2-phenylethyl)thiourea is sourced from PubChem (CID 3473412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).