N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

C18H19FN2OS — CID 3225394

IUPACN-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2OS/c1-2-3-9-20-18(22)16-11-17-15(8-10-23-17)21(16)12-13-4-6-14(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,20,22)
InChIKeyIOMIDLQQJUAEFL-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.42
Rot. Bonds6

About N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225394) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225394
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC NameN-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN2OS/c1-2-3-9-20-18(22)16-11-17-15(8-10-23-17)21(16)12-13-4-6-14(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,20,22)
InChIKeyIOMIDLQQJUAEFL-UHFFFAOYSA-N
XLogP4.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propyl]-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437617
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-[(4-tert-butylphenyl)methyl]-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848585
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877117
4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
N-butyl-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3695779
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
4-[(4-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1427973
N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038839
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
4-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 20877111
N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038838

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 3225394) is N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is CCCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is IOMIDLQQJUAEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-2-3-9-20-18(22)16-11-17-15(8-10-23-17)21(16)12-13-4-6-14(19)7-5-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,20,22).
What are the key properties of N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).