1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

C23H17N5O3S — CID 2936672

IUPAC1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17N5O3S/c29-21-15-20(32-23-24-25-26-28(23)17-7-3-1-4-8-17)22(30)27(21)16-11-13-19(14-12-16)31-18-9-5-2-6-10-18/h1-14,20H,15H2
InChIKeyYLJPENAOLAPXTQ-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione

1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2936672) has the molecular formula C23H17N5O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2936672
Molecular FormulaC23H17N5O3S
Molecular Weight443.49 g/mol
Exact Mass443.11
IUPAC Name1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H17N5O3S/c29-21-15-20(32-23-24-25-26-28(23)17-7-3-1-4-8-17)22(30)27(21)16-11-13-19(14-12-16)31-18-9-5-2-6-10-18/h1-14,20H,15H2
InChIKeyYLJPENAOLAPXTQ-UHFFFAOYSA-N
XLogP3.88
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 1078930
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
(3R)-1-(4-methylphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
CID 2036009
3-[(4-hydroxy-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 4241705
2-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one
CID 4825695
3-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 2931430
(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1332861
3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 4891991
(3R)-3-hexadecyl-1-[(2S)-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanyl-1,2-dihydroinden-5-yl]pyrrolidine-2,5-dione
CID 98214080
(3R)-3-hexadecyl-1-[(2R)-3-oxo-2-(1-phenyltetrazol-5-yl)sulfanyl-1,2-dihydroinden-5-yl]pyrrolidine-2,5-dione
CID 98214078
3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 43832746
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CID 2936672) is 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is O=C1CC(Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is YLJPENAOLAPXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S/c29-21-15-20(32-23-24-25-26-28(23)17-7-3-1-4-8-17)22(30)27(21)16-11-13-19(14-12-16)31-18-9-5-2-6-10-18/h1-14,20H,15H2.
What are the key properties of 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione?
1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 443.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2936672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).