N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

C20H19F3N2O2S — CID 46038852

IUPACN-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)14-5-3-13(4-6-14)12-25-16-7-9-28-18(16)10-17(25)19(26)24-11-15-2-1-8-27-15/h3-7,9-10,15H,1-2,8,11-12H2,(H,24,26)
InChIKeyZBTRZWLJDPLDOJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.68
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide

N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46038852) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46038852
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC NameN-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)14-5-3-13(4-6-14)12-25-16-7-9-28-18(16)10-17(25)19(26)24-11-15-2-1-8-27-15/h3-7,9-10,15H,1-2,8,11-12H2,(H,24,26)
InChIKeyZBTRZWLJDPLDOJ-UHFFFAOYSA-N
XLogP4.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46038852) is N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCC1CCCO1)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZBTRZWLJDPLDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c21-20(22,23)14-5-3-13(4-6-14)12-25-16-7-9-28-18(16)10-17(25)19(26)24-11-15-2-1-8-27-15/h3-7,9-10,15H,1-2,8,11-12H2,(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46038852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).