1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione

C17H16N2O4S — CID 168559299

IUPAC1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(OCc3cccs3)cc2)C(=O)N1CCO
InChIInChI=1S/C17H16N2O4S/c20-8-7-19-16(21)10-15(17(19)22)18-12-3-5-13(6-4-12)23-11-14-2-1-9-24-14/h1-6,9-10,18,20H,7-8,11H2
InChIKeyBEDUUTRZNUJPHZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.98
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione (PubChem CID 168559299) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione
PubChem CID168559299
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2ccc(OCc3cccs3)cc2)C(=O)N1CCO
InChIInChI=1S/C17H16N2O4S/c20-8-7-19-16(21)10-15(17(19)22)18-12-3-5-13(6-4-12)23-11-14-2-1-9-24-14/h1-6,9-10,18,20H,7-8,11H2
InChIKeyBEDUUTRZNUJPHZ-UHFFFAOYSA-N
XLogP1.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.98
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

3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559042
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
4-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]benzoic acid
CID 168557232
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
1-(2-hydroxyethyl)-3-(4-tritylanilino)pyrrole-2,5-dione
CID 168556758
3-(1-benzothiophen-6-ylamino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560210
1-(2-hydroxyethyl)-3-[4-(1-phenylethenyl)anilino]pyrrole-2,5-dione
CID 168557531
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]thiophene-2-carboxamide
CID 168559630
1-(2-hydroxyethyl)-3-[4-(2-methoxyphenyl)anilino]pyrrole-2,5-dione
CID 168560657
1-(2-hydroxyethyl)-3-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]anilino]pyrrole-2,5-dione
CID 168559429
3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
CID 16647751

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione (CID 168559299) is 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione is O=C1C=C(Nc2ccc(OCc3cccs3)cc2)C(=O)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione?
The InChIKey is BEDUUTRZNUJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-8-7-19-16(21)10-15(17(19)22)18-12-3-5-13(6-4-12)23-11-14-2-1-9-24-14/h1-6,9-10,18,20H,7-8,11H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione has a molecular weight of 344.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(thiophen-2-ylmethoxy)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168559299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).