3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione

C20H22N2O3S — CID 110553114

IUPAC3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC(C)OCCN1C(=O)C(c2cccs2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O3S/c1-14(2)25-12-11-22-19(23)17(16-10-7-13-26-16)18(20(22)24)21(3)15-8-5-4-6-9-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyQSQRZQKFKKSIHY-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.39
Rot. Bonds7

About 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553114) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553114
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC(C)OCCN1C(=O)C(c2cccs2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O3S/c1-14(2)25-12-11-22-19(23)17(16-10-7-13-26-16)18(20(22)24)21(3)15-8-5-4-6-9-15/h4-10,13-14H,11-12H2,1-3H3
InChIKeyQSQRZQKFKKSIHY-UHFFFAOYSA-N
XLogP3.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552896
3-[benzyl(ethyl)amino]-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553106
3-(N-methylanilino)-4-(4-methylphenyl)-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572586
1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552894
1-(3-butoxypropyl)-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553600
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552381
3-(3-chloro-2-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590935
1-(3-chlorophenyl)-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554624
1-(3-butoxypropyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575615
3-[2-hydroxyethyl(methyl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552383

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553114) is 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione is CC(C)OCCN1C(=O)C(c2cccs2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is QSQRZQKFKKSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14(2)25-12-11-22-19(23)17(16-10-7-13-26-16)18(20(22)24)21(3)15-8-5-4-6-9-15/h4-10,13-14H,11-12H2,1-3H3.
What are the key properties of 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 370.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-(2-propan-2-yloxyethyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).