1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione

C19H23NO2S — CID 110559627

IUPAC1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
SMILESCC(C)SC1=C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H23NO2S/c1-13(2)23-17-16(14-9-5-3-6-10-14)18(21)20(19(17)22)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKeyWSVQXRKFCVBSAY-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.24
Rot. Bonds4

About 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione

1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione (PubChem CID 110559627) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
PubChem CID110559627
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione
SMILESCC(C)SC1=C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C19H23NO2S/c1-13(2)23-17-16(14-9-5-3-6-10-14)18(21)20(19(17)22)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3
InChIKeyWSVQXRKFCVBSAY-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.24
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
N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
CID 2175268
2-(phenylcarbonylthio)-N-(phenylethyl)acetamide
CID 2856847
7-(4-methylsulfanylphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44586076
1-(2,3-Diphenylacryloyl)-2-methylpiperidine
CID 5737606
3,4-Diphenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 9975382
3,4-Diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione
CID 54581057
3,4-Diphenyl-1-(4-phenylbutyl)pyrrole-2,5-dione
CID 54585387
N-Cyclohexyl-N-ethyl-2-phenylacetamide
CID 558116
1-(5-Methyl-1-oxo-2,3-diphenyl-2,4-hexadienyl)pyrrolidine
CID 3038375
S-(3-phenylpropyl) (2S)-1-(2-cyclohexyl-2-oxoacetyl)pyrrolidine-2-carbothioate
CID 10200249
N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-4-methylsulfanylbutan-2-yl]-2-(4-fluorophenyl)-N-methylacetamide
CID 44313616

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione (CID 110559627) is 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione is CC(C)SC1=C(c2ccccc2)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione?
The InChIKey is WSVQXRKFCVBSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-13(2)23-17-16(14-9-5-3-6-10-14)18(21)20(19(17)22)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione?
1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione has a molecular weight of 329.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-phenyl-4-propan-2-ylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110559627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).