N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide

C24H23F3N4O2S — CID 59324144

IUPACN-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide
SMILESCCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1cccs1
InChIInChI=1S/C24H23F3N4O2S/c1-2-30(22(32)21-12-7-13-34-21)16-23(33,24(25,26)27)15-28-19-10-6-11-20-18(19)14-29-31(20)17-8-4-3-5-9-17/h3-14,28,33H,2,15-16H2,1H3
InChIKeyMNVFCKNXAKPLEB-UHFFFAOYSA-N
MW488.54 g/mol
LogP4.95
Rot. Bonds8

About N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide

N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide (PubChem CID 59324144) has the molecular formula C24H23F3N4O2S and a molecular weight of 488.54 g/mol. Its IUPAC name is N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide
PubChem CID59324144
Molecular FormulaC24H23F3N4O2S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC NameN-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide
SMILESCCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1cccs1
InChIInChI=1S/C24H23F3N4O2S/c1-2-30(22(32)21-12-7-13-34-21)16-23(33,24(25,26)27)15-28-19-10-6-11-20-18(19)14-29-31(20)17-8-4-3-5-9-17/h3-14,28,33H,2,15-16H2,1H3
InChIKeyMNVFCKNXAKPLEB-UHFFFAOYSA-N
XLogP4.95
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-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-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide (CID 59324144) is N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide is CCN(CC(O)(CNc1cccc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide?
The InChIKey is MNVFCKNXAKPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2S/c1-2-30(22(32)21-12-7-13-34-21)16-23(33,24(25,26)27)15-28-19-10-6-11-20-18(19)14-29-31(20)17-8-4-3-5-9-17/h3-14,28,33H,2,15-16H2,1H3.
What are the key properties of N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide?
N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3,3,3-trifluoro-2-hydroxy-2-[[(1-phenylindazol-4-yl)amino]methyl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 59324144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).