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

C22H20FNO2S — CID 110543951

IUPAC1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2ccc(F)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C22H20FNO2S/c23-16-13-11-15(12-14-16)19-20(27-18-9-5-2-6-10-18)22(26)24(21(19)25)17-7-3-1-4-8-17/h2,5-6,9-14,17H,1,3-4,7-8H2
InChIKeyGPMZVWZCPNRXGA-UHFFFAOYSA-N
MW381.47 g/mol
LogP5.03
Rot. Bonds4

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

1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110543951) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110543951
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2ccc(F)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C22H20FNO2S/c23-16-13-11-15(12-14-16)19-20(27-18-9-5-2-6-10-18)22(26)24(21(19)25)17-7-3-1-4-8-17/h2,5-6,9-14,17H,1,3-4,7-8H2
InChIKeyGPMZVWZCPNRXGA-UHFFFAOYSA-N
XLogP5.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
6-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10450498
6-(4-fluorophenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291037
6-(4-fluoro-3-methylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291119
7-(4-methylsulfanylphenyl)-6-[4-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291145
6,7-bis(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291187
6-(3,4-difluorophenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291446
7-(4-methylsulfanylphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44586076
1-Methyl-3-(4-methylsulfanylphenyl)-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122187201
1H-Pyrrole-2,5-dione, 1-cyclohexyl-3,4-diphenyl-
CID 5242397
N-Cyclohexyl-5-(4-fluorophenyl)-N-(prop-2-EN-1-YL)thiophene-2-carboxamide
CID 46082873
3-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1-propyl-2H-pyrrol-5-one
CID 9976615

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110543951) is 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione is O=C1C(Sc2ccccc2)=C(c2ccc(F)cc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is GPMZVWZCPNRXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c23-16-13-11-15(12-14-16)19-20(27-18-9-5-2-6-10-18)22(26)24(21(19)25)17-7-3-1-4-8-17/h2,5-6,9-14,17H,1,3-4,7-8H2.
What are the key properties of 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione?
1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 381.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-fluorophenyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110543951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).