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

C21H16F2N2OS — CID 46038882

IUPACN,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2sccc2n1Cc1ccccc1F
InChIInChI=1S/C21H16F2N2OS/c22-16-7-3-1-5-14(16)12-24-21(26)19-11-20-18(9-10-27-20)25(19)13-15-6-2-4-8-17(15)23/h1-11H,12-13H2,(H,24,26)
InChIKeyDOMOBCSVWAQCDW-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.96
Rot. Bonds5

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

N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46038882) has the molecular formula C21H16F2N2OS and a molecular weight of 382.44 g/mol. Its IUPAC name is N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46038882
Molecular FormulaC21H16F2N2OS
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2sccc2n1Cc1ccccc1F
InChIInChI=1S/C21H16F2N2OS/c22-16-7-3-1-5-14(16)12-24-21(26)19-11-20-18(9-10-27-20)25(19)13-15-6-2-4-8-17(15)23/h1-11H,12-13H2,(H,24,26)
InChIKeyDOMOBCSVWAQCDW-UHFFFAOYSA-N
XLogP4.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038876
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
4-(cyclopropylmethyl)-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039194
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039574
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039047
4-[(2-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848588
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
2-bromo-4-[(2-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848748
3-bromo-4-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848829
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317

Frequently Asked Questions

What is the IUPAC name of N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46038882) is N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(NCc1ccccc1F)c1cc2sccc2n1Cc1ccccc1F.
What is the InChIKey of N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DOMOBCSVWAQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2OS/c22-16-7-3-1-5-14(16)12-24-21(26)19-11-20-18(9-10-27-20)25(19)13-15-6-2-4-8-17(15)23/h1-11H,12-13H2,(H,24,26).
What are the key properties of N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46038882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).