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

C19H19F3N2OS — CID 46038838

IUPACN-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2OS/c1-12(2)10-23-18(25)16-9-17-15(7-8-26-17)24(16)11-13-3-5-14(6-4-13)19(20,21)22/h3-9,12H,10-11H2,1-2H3,(H,23,25)
InChIKeyVBXKQDWRMKKBGC-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.16
Rot. Bonds5

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

N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46038838) has the molecular formula C19H19F3N2OS and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46038838
Molecular FormulaC19H19F3N2OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCC(C)CNC(=O)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2OS/c1-12(2)10-23-18(25)16-9-17-15(7-8-26-17)24(16)11-13-3-5-14(6-4-13)19(20,21)22/h3-9,12H,10-11H2,1-2H3,(H,23,25)
InChIKeyVBXKQDWRMKKBGC-UHFFFAOYSA-N
XLogP5.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038839
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
N-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052152
N-cyclopropyl-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038846
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038960
N-(oxolan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038852
4-[(4-tert-butylphenyl)methyl]-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848585
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46038838) is N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is CC(C)CNC(=O)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is VBXKQDWRMKKBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2OS/c1-12(2)10-23-18(25)16-9-17-15(7-8-26-17)24(16)11-13-3-5-14(6-4-13)19(20,21)22/h3-9,12H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46038838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).