1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

C19H19NO2S2 — CID 110552861

IUPAC1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(Sc2ccccc2)=C(c2cccs2)C1=O
InChIInChI=1S/C19H19NO2S2/c1-2-3-7-12-20-18(21)16(15-11-8-13-23-15)17(19(20)22)24-14-9-5-4-6-10-14/h4-6,8-11,13H,2-3,7,12H2,1H3
InChIKeyRFQOIFHEABRVMN-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.81
Rot. Bonds7

About 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552861) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552861
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(Sc2ccccc2)=C(c2cccs2)C1=O
InChIInChI=1S/C19H19NO2S2/c1-2-3-7-12-20-18(21)16(15-11-8-13-23-15)17(19(20)22)24-14-9-5-4-6-10-14/h4-6,8-11,13H,2-3,7,12H2,1H3
InChIKeyRFQOIFHEABRVMN-UHFFFAOYSA-N
XLogP4.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553079
1-octyl-3,4-dithiophen-2-ylpyrrole-2,5-dione
CID 132937304
3-benzylsulfanyl-1-hexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553510
1-pentyl-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552864
1-hexyl-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553508
1-methyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553017
3-(4-methylphenyl)-1-octyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110573182
1-butyl-3-(2-hydroxyethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552906
1-decyl-3-(furan-2-ylmethylsulfanyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553537
3-(4-chlorophenyl)sulfanyl-1-decyl-4-phenylpyrrole-2,5-dione
CID 110560034
1-phenyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554561
3-(3,4-dimethylphenyl)-1-hexyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110549362

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552861) is 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is CCCCCN1C(=O)C(Sc2ccccc2)=C(c2cccs2)C1=O.
What is the InChIKey of 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is RFQOIFHEABRVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-2-3-7-12-20-18(21)16(15-11-8-13-23-15)17(19(20)22)24-14-9-5-4-6-10-14/h4-6,8-11,13H,2-3,7,12H2,1H3.
What are the key properties of 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 357.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-phenylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).