5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C23H19F3N4O2S — CID 18005194

IUPAC5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(NC(=O)c3ccccn3)cc1)CC2
InChIInChI=1S/C23H19F3N4O2S/c1-33-20-12-14-9-11-30(19(14)13-17(20)23(24,25)26)22(32)29-16-7-5-15(6-8-16)28-21(31)18-4-2-3-10-27-18/h2-8,10,12-13H,9,11H2,1H3,(H,28,31)(H,29,32)
InChIKeyDKMGIHYHTRZWHF-UHFFFAOYSA-N
MW472.49 g/mol
LogP5.67
Rot. Bonds4

About 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 18005194) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID18005194
Molecular FormulaC23H19F3N4O2S
Molecular Weight472.49 g/mol
Exact Mass472.12
IUPAC Name5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(NC(=O)c3ccccn3)cc1)CC2
InChIInChI=1S/C23H19F3N4O2S/c1-33-20-12-14-9-11-30(19(14)13-17(20)23(24,25)26)22(32)29-16-7-5-15(6-8-16)28-21(31)18-4-2-3-10-27-18/h2-8,10,12-13H,9,11H2,1H3,(H,28,31)(H,29,32)
InChIKeyDKMGIHYHTRZWHF-UHFFFAOYSA-N
XLogP5.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 54137663
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10714852
[5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carbonyl]-phenylcarbamic acid
CID 57249793
5-methoxy-N-[3-(2-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10550406
N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
CID 90939443
5-methoxy-N-(5-phenyl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10835537
5-methoxy-N-[4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide;4-(pyridin-4-ylsulfanylmethyl)aniline
CID 70081253
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005147
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 147607996
5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 71458824

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 18005194) is 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(NC(=O)c3ccccn3)cc1)CC2.
What is the InChIKey of 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is DKMGIHYHTRZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c1-33-20-12-14-9-11-30(19(14)13-17(20)23(24,25)26)22(32)29-16-7-5-15(6-8-16)28-21(31)18-4-2-3-10-27-18/h2-8,10,12-13H,9,11H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-N-[4-(pyridine-2-carbonylamino)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 18005194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).