1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione

C23H23NO3S — CID 110566056

IUPAC1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H23NO3S/c1-27-19-15-9-8-14-18(19)20-21(28-17-12-6-3-7-13-17)23(26)24(22(20)25)16-10-4-2-5-11-16/h3,6-9,12-16H,2,4-5,10-11H2,1H3
InChIKeyPNNQGQKFTICDCI-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.90
Rot. Bonds5

About 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione

1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110566056) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110566056
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(Sc2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H23NO3S/c1-27-19-15-9-8-14-18(19)20-21(28-17-12-6-3-7-13-17)23(26)24(22(20)25)16-10-4-2-5-11-16/h3,6-9,12-16H,2,4-5,10-11H2,1H3
InChIKeyPNNQGQKFTICDCI-UHFFFAOYSA-N
XLogP4.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-phenylsulfanyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575379
1-cycloheptyl-3-(N-ethylanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566081
1-butyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110565822
1-cyclooctyl-3-(4-nitrophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110541560
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
1-cyclohexyl-3-(2-methoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110566042
3-(2-methoxyphenyl)-1-(3-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567255
1-cycloheptyl-3-[3-(hydroxymethyl)piperidin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566084
1-(2,5-difluorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567821
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567492
1-(2,5-dichlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567837
2-cyclodecylisoindole-1,3-dione
CID 123786237

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110566056) is 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione is COc1ccccc1C1=C(Sc2ccccc2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is PNNQGQKFTICDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-27-19-15-9-8-14-18(19)20-21(28-17-12-6-3-7-13-17)23(26)24(22(20)25)16-10-4-2-5-11-16/h3,6-9,12-16H,2,4-5,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 393.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110566056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).