3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

C19H25N3O5S — CID 168558542

IUPAC3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C19H25N3O5S/c1-2-15-5-3-4-10-22(15)28(26,27)16-8-6-14(7-9-16)20-17-13-18(24)21(11-12-23)19(17)25/h6-9,13,15,20,23H,2-5,10-12H2,1H3
InChIKeyVJOTZRYNKFTJLM-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.30
Rot. Bonds7

About 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione

3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (PubChem CID 168558542) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
PubChem CID168558542
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C19H25N3O5S/c1-2-15-5-3-4-10-22(15)28(26,27)16-8-6-14(7-9-16)20-17-13-18(24)21(11-12-23)19(17)25/h6-9,13,15,20,23H,2-5,10-12H2,1H3
InChIKeyVJOTZRYNKFTJLM-UHFFFAOYSA-N
XLogP1.30
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylanilino]pyrrole-2,5-dione
CID 168557317
methyl N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]carbamate
CID 40635393
3-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558882
2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 28962638
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methylbutanamide
CID 17256766
2-ethyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]butanamide
CID 4590168
(2R)-2-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]propanamide
CID 92660341
3-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60845822
3-chloro-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17147787
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
1-(2-hydroxyethyl)-3-(4-methylsulfonyl-3-piperidin-1-ylanilino)pyrrole-2,5-dione
CID 168557780
2-[4-(2-ethylazepan-1-yl)sulfonylpyrazol-1-yl]ethanol
CID 104692790

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione (CID 168558542) is 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is CCC1CCCCN1S(=O)(=O)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1.
What is the InChIKey of 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
The InChIKey is VJOTZRYNKFTJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-2-15-5-3-4-10-22(15)28(26,27)16-8-6-14(7-9-16)20-17-13-18(24)21(11-12-23)19(17)25/h6-9,13,15,20,23H,2-5,10-12H2,1H3.
What are the key properties of 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione?
3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione has a molecular weight of 407.49 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylpiperidin-1-yl)sulfonylanilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 168558542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).