N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C19H19F3N2O2S — CID 67695293

IUPACN-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCc3ccccc32)c(C(F)(F)F)c(SC)c1
InChIInChI=1S/C19H19F3N2O2S/c1-3-26-13-10-14(17(19(20,21)22)16(11-13)27-2)23-18(25)24-9-8-12-6-4-5-7-15(12)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,25)
InChIKeyNWDCOBOWXMRMLU-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.42
Rot. Bonds4

About N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 67695293) has the molecular formula C19H19F3N2O2S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID67695293
Molecular FormulaC19H19F3N2O2S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCCOc1cc(NC(=O)N2CCc3ccccc32)c(C(F)(F)F)c(SC)c1
InChIInChI=1S/C19H19F3N2O2S/c1-3-26-13-10-14(17(19(20,21)22)16(11-13)27-2)23-18(25)24-9-8-12-6-4-5-7-15(12)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,25)
InChIKeyNWDCOBOWXMRMLU-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-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-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethoxyanilino)propan-1-one
CID 8024233
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(5-methylsulfanyl-3-pyridinyl)-2,3-dihydroindole-1-carboxamide
CID 67754562
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269
N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 67595367
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859

Frequently Asked Questions

What is the IUPAC name of N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 67695293) is N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CCOc1cc(NC(=O)N2CCc3ccccc32)c(C(F)(F)F)c(SC)c1.
What is the InChIKey of N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is NWDCOBOWXMRMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2S/c1-3-26-13-10-14(17(19(20,21)22)16(11-13)27-2)23-18(25)24-9-8-12-6-4-5-7-15(12)24/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,25).
What are the key properties of N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethoxy-3-methylsulfanyl-2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 67695293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).