N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

C21H19F3N2O2S — CID 155135266

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C(F)(F)F)ccnc12
InChIInChI=1S/C21H19F3N2O2S/c1-11(2)16-17-18(13(7-9-25-17)21(22,23)24)29-19(16)20(27)26-14-8-10-28-15-6-4-3-5-12(14)15/h3-7,9,11,14H,8,10H2,1-2H3,(H,26,27)/t14-/m0/s1
InChIKeyYOLCMSACSHBSAE-AWEZNQCLSA-N
MW420.46 g/mol
LogP5.69
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155135266) has the molecular formula C21H19F3N2O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID155135266
Molecular FormulaC21H19F3N2O2S
Molecular Weight420.46 g/mol
Exact Mass420.11
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C(F)(F)F)ccnc12
InChIInChI=1S/C21H19F3N2O2S/c1-11(2)16-17-18(13(7-9-25-17)21(22,23)24)29-19(16)20(27)26-14-8-10-28-15-6-4-3-5-12(14)15/h3-7,9,11,14H,8,10H2,1-2H3,(H,26,27)/t14-/m0/s1
InChIKeyYOLCMSACSHBSAE-AWEZNQCLSA-N
XLogP5.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (CID 155135266) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C(F)(F)F)ccnc12.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is YOLCMSACSHBSAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19F3N2O2S/c1-11(2)16-17-18(13(7-9-25-17)21(22,23)24)29-19(16)20(27)26-14-8-10-28-15-6-4-3-5-12(14)15/h3-7,9,11,14H,8,10H2,1-2H3,(H,26,27)/t14-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155135266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).