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

C21H23FN2OS — CID 20877117

IUPAC4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC1CCC(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2OS/c1-14-2-8-17(9-3-14)23-21(25)19-12-20-18(10-11-26-20)24(19)13-15-4-6-16(22)7-5-15/h4-7,10-12,14,17H,2-3,8-9,13H2,1H3,(H,23,25)
InChIKeyIFLXTRCTKKYTNN-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.20
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 20877117) has the molecular formula C21H23FN2OS and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID20877117
Molecular FormulaC21H23FN2OS
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Name4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC1CCC(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2OS/c1-14-2-8-17(9-3-14)23-21(25)19-12-20-18(10-11-26-20)24(19)13-15-4-6-16(22)7-5-15/h4-7,10-12,14,17H,2-3,8-9,13H2,1H3,(H,23,25)
InChIKeyIFLXTRCTKKYTNN-UHFFFAOYSA-N
XLogP5.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 20877117) is 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide is CC1CCC(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is IFLXTRCTKKYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2OS/c1-14-2-8-17(9-3-14)23-21(25)19-12-20-18(10-11-26-20)24(19)13-15-4-6-16(22)7-5-15/h4-7,10-12,14,17H,2-3,8-9,13H2,1H3,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 20877117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).