3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione

C15H17NO3S — CID 110559548

IUPAC3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
SMILESCCSC1=C(c2ccccc2)C(=O)N(CCOC)C1=O
InChIInChI=1S/C15H17NO3S/c1-3-20-13-12(11-7-5-4-6-8-11)14(17)16(15(13)18)9-10-19-2/h4-8H,3,9-10H2,1-2H3
InChIKeyRVRPTHFCUDSMFQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.17
Rot. Bonds6

About 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione

3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110559548) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
PubChem CID110559548
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
SMILESCCSC1=C(c2ccccc2)C(=O)N(CCOC)C1=O
InChIInChI=1S/C15H17NO3S/c1-3-20-13-12(11-7-5-4-6-8-11)14(17)16(15(13)18)9-10-19-2/h4-8H,3,9-10H2,1-2H3
InChIKeyRVRPTHFCUDSMFQ-UHFFFAOYSA-N
XLogP2.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.17
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

3-(4-chlorophenyl)-4-ethylsulfanyl-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110569741
3-ethylsulfanyl-4-phenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110558839
3-ethylsulfanyl-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572748
3-(4-chlorophenyl)sulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559547
3-ethylsulfanyl-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560073
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110556427
3-(2-hydroxyethylsulfanyl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559408
N-[4-[4-benzylsulfanyl-1-(2-methoxyethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562755
3-ethylsulfanyl-1-(3-methoxypropyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551439
1-[2-(3,5-dimethylphenoxy)ethyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573205
3-ethylsulfanyl-1-[2-(1-methylindol-3-yl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558563
1-(2-methoxyethyl)-3-(4-nitrophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110541447

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione (CID 110559548) is 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione is CCSC1=C(c2ccccc2)C(=O)N(CCOC)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is RVRPTHFCUDSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-20-13-12(11-7-5-4-6-8-11)14(17)16(15(13)18)9-10-19-2/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione?
3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 291.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).