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

C19H19FN2OS — CID 46039244

IUPAC4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2sccc2n1CC1CCC1
InChIInChI=1S/C19H19FN2OS/c20-15-6-4-13(5-7-15)11-21-19(23)17-10-18-16(8-9-24-18)22(17)12-14-2-1-3-14/h4-10,14H,1-3,11-12H2,(H,21,23)
InChIKeyOXLHAMYUCINOBP-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.57
Rot. Bonds5

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

4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039244) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039244
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2sccc2n1CC1CCC1
InChIInChI=1S/C19H19FN2OS/c20-15-6-4-13(5-7-15)11-21-19(23)17-10-18-16(8-9-24-18)22(17)12-14-2-1-3-14/h4-10,14H,1-3,11-12H2,(H,21,23)
InChIKeyOXLHAMYUCINOBP-UHFFFAOYSA-N
XLogP4.57
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46039244) is 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2sccc2n1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OXLHAMYUCINOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c20-15-6-4-13(5-7-15)11-21-19(23)17-10-18-16(8-9-24-18)22(17)12-14-2-1-3-14/h4-10,14H,1-3,11-12H2,(H,21,23).
What are the key properties of 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).