3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide

C21H18F6N2OS — CID 137471598

IUPAC3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide
SMILESCCSC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2NC)Cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H18F6N2OS/c1-3-31-18-14-6-4-12(20(22,23)24)8-11(14)9-15(18)19(30)29-17-10-13(21(25,26)27)5-7-16(17)28-2/h4-8,10,28H,3,9H2,1-2H3,(H,29,30)
InChIKeyRKAWQHLQHRTVMI-UHFFFAOYSA-N
MW460.44 g/mol
LogP6.42
Rot. Bonds5

About 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide

3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide (PubChem CID 137471598) has the molecular formula C21H18F6N2OS and a molecular weight of 460.44 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide
PubChem CID137471598
Molecular FormulaC21H18F6N2OS
Molecular Weight460.44 g/mol
Exact Mass460.10
IUPAC Name3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide
SMILESCCSC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2NC)Cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H18F6N2OS/c1-3-31-18-14-6-4-12(20(22,23)24)8-11(14)9-15(18)19(30)29-17-10-13(21(25,26)27)5-7-16(17)28-2/h4-8,10,28H,3,9H2,1-2H3,(H,29,30)
InChIKeyRKAWQHLQHRTVMI-UHFFFAOYSA-N
XLogP6.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.44
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-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

Related Compounds

2-ethyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-3-sulfanylbenzamide
CID 118035480
3-ethylsulfanyl-4-methyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-4,5-dihydro-1-benzothiophene-2-carboxamide
CID 145150604
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
2-[[2,4-bis(trifluoromethyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084680
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
1-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]isoquinoline-6-carboxamide
CID 135262487
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
2-amino-N-[2-(methylamino)-5-sulfamoylphenyl]-4-(trifluoromethyl)benzamide
CID 146093858
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide (CID 137471598) is 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide is CCSC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2NC)Cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide?
The InChIKey is RKAWQHLQHRTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N2OS/c1-3-31-18-14-6-4-12(20(22,23)24)8-11(14)9-15(18)19(30)29-17-10-13(21(25,26)27)5-7-16(17)28-2/h4-8,10,28H,3,9H2,1-2H3,(H,29,30).
What are the key properties of 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide?
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indene-2-carboxamide is sourced from PubChem (CID 137471598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).