1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione

C15H18N2O3S — CID 168560233

IUPAC1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione
SMILESCCCSc1ccccc1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C15H18N2O3S/c1-2-9-21-13-6-4-3-5-11(13)16-12-10-14(19)17(7-8-18)15(12)20/h3-6,10,16,18H,2,7-9H2,1H3
InChIKeyVNAMEYJVQVZFEP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.85
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione (PubChem CID 168560233) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione
PubChem CID168560233
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione
SMILESCCCSc1ccccc1NC1=CC(=O)N(CCO)C1=O
InChIInChI=1S/C15H18N2O3S/c1-2-9-21-13-6-4-3-5-11(13)16-12-10-14(19)17(7-8-18)15(12)20/h3-6,10,16,18H,2,7-9H2,1H3
InChIKeyVNAMEYJVQVZFEP-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[2-[(4-methylphenyl)methylsulfanyl]anilino]pyrrole-2,5-dione
CID 168556340
3-[2-[(2-chlorophenyl)methylsulfanyl]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560468
1-(2-hydroxyethyl)-3-(2-propylsulfonylanilino)pyrrole-2,5-dione
CID 168560234
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
1-(2-hydroxyethyl)-3-[(5-hydroxynaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557850
3-[2,6-di(propan-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557058
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione
CID 168556530
3-[2-(azepan-1-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559724
1-(2-hydroxyethyl)-3-[(2-methylbenzotriazol-4-yl)amino]pyrrole-2,5-dione
CID 168556105
3-[2-(cyclohexylamino)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559383
N-(4-ethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168559539

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione (CID 168560233) is 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione is CCCSc1ccccc1NC1=CC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione?
The InChIKey is VNAMEYJVQVZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-9-21-13-6-4-3-5-11(13)16-12-10-14(19)17(7-8-18)15(12)20/h3-6,10,16,18H,2,7-9H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione has a molecular weight of 306.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-propylsulfanylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 168560233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).