1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C24H28FN3O3S — CID 3242030

IUPAC1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O3S/c1-31-13-2-10-26-23(29)18-7-11-27(12-8-18)24(30)21-15-22-20(9-14-32-22)28(21)16-17-3-5-19(25)6-4-17/h3-6,9,14-15,18H,2,7-8,10-13,16H2,1H3,(H,26,29)
InChIKeyGOTMOSURCUXNAS-UHFFFAOYSA-N
MW457.57 g/mol
LogP3.90
Rot. Bonds8

About 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 3242030) has the molecular formula C24H28FN3O3S and a molecular weight of 457.57 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID3242030
Molecular FormulaC24H28FN3O3S
Molecular Weight457.57 g/mol
Exact Mass457.18
IUPAC Name1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O3S/c1-31-13-2-10-26-23(29)18-7-11-27(12-8-18)24(30)21-15-22-20(9-14-32-22)28(21)16-17-3-5-19(25)6-4-17/h3-6,9,14-15,18H,2,7-8,10-13,16H2,1H3,(H,26,29)
InChIKeyGOTMOSURCUXNAS-UHFFFAOYSA-N
XLogP3.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide 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 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 3242030) is 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is GOTMOSURCUXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S/c1-31-13-2-10-26-23(29)18-7-11-27(12-8-18)24(30)21-15-22-20(9-14-32-22)28(21)16-17-3-5-19(25)6-4-17/h3-6,9,14-15,18H,2,7-8,10-13,16H2,1H3,(H,26,29).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).