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

C25H24FN3O3S — CID 3240671

IUPAC1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H24FN3O3S/c26-19-5-3-17(4-6-19)16-29-21-9-13-33-23(21)14-22(29)25(31)28-10-7-18(8-11-28)24(30)27-15-20-2-1-12-32-20/h1-6,9,12-14,18H,7-8,10-11,15-16H2,(H,27,30)
InChIKeyMBQKISRWBNFPED-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.65
Rot. Bonds6

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

1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3240671) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3240671
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H24FN3O3S/c26-19-5-3-17(4-6-19)16-29-21-9-13-33-23(21)14-22(29)25(31)28-10-7-18(8-11-28)24(30)27-15-20-2-1-12-32-20/h1-6,9,12-14,18H,7-8,10-11,15-16H2,(H,27,30)
InChIKeyMBQKISRWBNFPED-UHFFFAOYSA-N
XLogP4.65
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 3240671) is 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)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-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MBQKISRWBNFPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c26-19-5-3-17(4-6-19)16-29-21-9-13-33-23(21)14-22(29)25(31)28-10-7-18(8-11-28)24(30)27-15-20-2-1-12-32-20/h1-6,9,12-14,18H,7-8,10-11,15-16H2,(H,27,30).
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 4.65, 6 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-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3240671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).