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

C24H21F3N2OS — CID 46052829

IUPAC2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2CCc2ccccc2)s1
InChIInChI=1S/C24H21F3N2OS/c1-16-12-20-22(31-16)14-21(29(20)11-10-17-6-3-2-4-7-17)23(30)28-15-18-8-5-9-19(13-18)24(25,26)27/h2-9,12-14H,10-11,15H2,1H3,(H,28,30)
InChIKeyNZLSHKQCHNHVIK-UHFFFAOYSA-N
MW442.51 g/mol
LogP6.20
Rot. Bonds6

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

2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46052829) has the molecular formula C24H21F3N2OS and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46052829
Molecular FormulaC24H21F3N2OS
Molecular Weight442.51 g/mol
Exact Mass442.13
IUPAC Name2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2CCc2ccccc2)s1
InChIInChI=1S/C24H21F3N2OS/c1-16-12-20-22(31-16)14-21(29(20)11-10-17-6-3-2-4-7-17)23(30)28-15-18-8-5-9-19(13-18)24(25,26)27/h2-9,12-14H,10-11,15H2,1H3,(H,28,30)
InChIKeyNZLSHKQCHNHVIK-UHFFFAOYSA-N
XLogP6.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039523
4-(cyclobutylmethyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039785
4-[(2-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848588
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-[(E)-but-2-enyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039553
4-[(E)-but-2-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039032
3-bromo-4-[(3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83287267
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848710
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46052829) is 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCc3cccc(C(F)(F)F)c3)n2CCc2ccccc2)s1.
What is the InChIKey of 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NZLSHKQCHNHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2OS/c1-16-12-20-22(31-16)14-21(29(20)11-10-17-6-3-2-4-7-17)23(30)28-15-18-8-5-9-19(13-18)24(25,26)27/h2-9,12-14H,10-11,15H2,1H3,(H,28,30).
What are the key properties of 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46052829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).