1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

C24H29N3O2S — CID 3235839

IUPAC1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21
InChIInChI=1S/C24H29N3O2S/c1-2-27-20-12-15-30-22(20)16-21(27)24(29)26-14-7-11-19(17-26)23(28)25-13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15-16,19H,2,6-7,10-11,13-14,17H2,1H3,(H,25,28)
InChIKeyWCWAVFAPFPKZMA-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.32
Rot. Bonds7

About 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 3235839) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID3235839
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21
InChIInChI=1S/C24H29N3O2S/c1-2-27-20-12-15-30-22(20)16-21(27)24(29)26-14-7-11-19(17-26)23(28)25-13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15-16,19H,2,6-7,10-11,13-14,17H2,1H3,(H,25,28)
InChIKeyWCWAVFAPFPKZMA-UHFFFAOYSA-N
XLogP4.32
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 3235839) is 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is CCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21.
What is the InChIKey of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is WCWAVFAPFPKZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-2-27-20-12-15-30-22(20)16-21(27)24(29)26-14-7-11-19(17-26)23(28)25-13-6-10-18-8-4-3-5-9-18/h3-5,8-9,12,15-16,19H,2,6-7,10-11,13-14,17H2,1H3,(H,25,28).
What are the key properties of 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3235839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).