1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione

C19H17N3O4S — CID 168559702

IUPAC1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)C(=O)N1CCO
InChIInChI=1S/C19H17N3O4S/c23-8-7-22-17(24)11-14(18(22)25)20-13-4-3-12-5-6-21(15(12)10-13)19(26)16-2-1-9-27-16/h1-4,9-11,20,23H,5-8H2
InChIKeyRRGDBDCGWOQRAW-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.61
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione (PubChem CID 168559702) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
PubChem CID168559702
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)C(=O)N1CCO
InChIInChI=1S/C19H17N3O4S/c23-8-7-22-17(24)11-14(18(22)25)20-13-4-3-12-5-6-21(15(12)10-13)19(26)16-2-1-9-27-16/h1-4,9-11,20,23H,5-8H2
InChIKeyRRGDBDCGWOQRAW-UHFFFAOYSA-N
XLogP1.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione (CID 168559702) is 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione is O=C1C=C(Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione?
The InChIKey is RRGDBDCGWOQRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-8-7-22-17(24)11-14(18(22)25)20-13-4-3-12-5-6-21(15(12)10-13)19(26)16-2-1-9-27-16/h1-4,9-11,20,23H,5-8H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione has a molecular weight of 383.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione is sourced from PubChem (CID 168559702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).