5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C18H18F3N3OS — CID 10714852

IUPAC5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C18H18F3N3OS/c1-2-8-26-16-9-12-5-7-24(15(12)10-14(16)18(19,20)21)17(25)23-13-4-3-6-22-11-13/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,23,25)
InChIKeyULPXBIYMLGYNNM-UHFFFAOYSA-N
MW381.42 g/mol
LogP5.20
Rot. Bonds4

About 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10714852) has the molecular formula C18H18F3N3OS and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10714852
Molecular FormulaC18H18F3N3OS
Molecular Weight381.42 g/mol
Exact Mass381.11
IUPAC Name5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C18H18F3N3OS/c1-2-8-26-16-9-12-5-7-24(15(12)10-14(16)18(19,20)21)17(25)23-13-4-3-6-22-11-13/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,23,25)
InChIKeyULPXBIYMLGYNNM-UHFFFAOYSA-N
XLogP5.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-propylsulfanyl-N-pyridin-3-yl-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

6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858
6-chloro-5-ethenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 18940889
5-methoxy-N-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 71458824
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
N-(3-fluoro-4-methoxy-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 18005147
5-methoxy-N-(5-phenyl-3-pyridinyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10835537
N-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-5-methylsulfanyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 54137663
4,6-dichloro-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10567817
5-methoxy-N-[3-(2-methyl-3-pyridinyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10550406
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea
CID 18101699
S-[2-oxo-2-(pyridin-3-ylamino)ethyl] 6-methyl-3,4-dihydro-2H-quinoline-1-carbothioate;2,2,2-trifluoroacetic acid
CID 24878389

Frequently Asked Questions

What is the IUPAC name of 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10714852) is 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is CCCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ULPXBIYMLGYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3OS/c1-2-8-26-16-9-12-5-7-24(15(12)10-14(16)18(19,20)21)17(25)23-13-4-3-6-22-11-13/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,23,25).
What are the key properties of 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10714852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).