3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole

C23H25NS2 — CID 102295960

IUPAC3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole
SMILESCc1ccc(N2CC(c3cc(C)sc3C)=C(c3cc(C)sc3C)C2)cc1
InChIInChI=1S/C23H25NS2/c1-14-6-8-19(9-7-14)24-12-22(20-10-15(2)25-17(20)4)23(13-24)21-11-16(3)26-18(21)5/h6-11H,12-13H2,1-5H3
InChIKeyVSMOJYWTQCNQSR-UHFFFAOYSA-N
MW379.59 g/mol
LogP6.78
Rot. Bonds3

About 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole

3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole (PubChem CID 102295960) has the molecular formula C23H25NS2 and a molecular weight of 379.59 g/mol. Its IUPAC name is 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole
PubChem CID102295960
Molecular FormulaC23H25NS2
Molecular Weight379.59 g/mol
Exact Mass379.14
IUPAC Name3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole
SMILESCc1ccc(N2CC(c3cc(C)sc3C)=C(c3cc(C)sc3C)C2)cc1
InChIInChI=1S/C23H25NS2/c1-14-6-8-19(9-7-14)24-12-22(20-10-15(2)25-17(20)4)23(13-24)21-11-16(3)26-18(21)5/h6-11H,12-13H2,1-5H3
InChIKeyVSMOJYWTQCNQSR-UHFFFAOYSA-N
XLogP6.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole?
The IUPAC name of 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole (CID 102295960) is 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole?
The canonical SMILES for 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole is Cc1ccc(N2CC(c3cc(C)sc3C)=C(c3cc(C)sc3C)C2)cc1.
What is the InChIKey of 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole?
The InChIKey is VSMOJYWTQCNQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NS2/c1-14-6-8-19(9-7-14)24-12-22(20-10-15(2)25-17(20)4)23(13-24)21-11-16(3)26-18(21)5/h6-11H,12-13H2,1-5H3.
What are the key properties of 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole?
3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole has a molecular weight of 379.59 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 102295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).