1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide

C14H15F3N2O2S — CID 96562519

IUPAC1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCC[S@@](C)=O)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H15F3N2O2S/c1-19-11-4-3-10(14(15,16)17)7-9(11)8-12(19)13(20)18-5-6-22(2)21/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)/t22-/m1/s1
InChIKeyMFENSKWLVYMUCO-JOCHJYFZSA-N
MW332.35 g/mol
LogP2.31
Rot. Bonds4

About 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide

1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide (PubChem CID 96562519) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide
PubChem CID96562519
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCC[S@@](C)=O)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H15F3N2O2S/c1-19-11-4-3-10(14(15,16)17)7-9(11)8-12(19)13(20)18-5-6-22(2)21/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)/t22-/m1/s1
InChIKeyMFENSKWLVYMUCO-JOCHJYFZSA-N
XLogP2.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-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

4-[[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]amino]butanoic acid
CID 119171048
N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide
CID 110024013
3-[[1-methyl-5-(trifluoromethyl)indole-2-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207682
N-butyl-1,5-dimethylindole-2-carboxamide
CID 7329072
N-(3-aminopropyl)-5-hydroxy-1-methylindole-2-carboxamide
CID 110833519
1-methyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 167762153
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
1-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]ethanone
CID 117121465
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
1-methyl-5-piperidin-1-ylsulfonyl-N-propylindole-2-carboxamide
CID 22579716

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide (CID 96562519) is 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide is Cn1c(C(=O)NCC[S@@](C)=O)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide?
The InChIKey is MFENSKWLVYMUCO-JOCHJYFZSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c1-19-11-4-3-10(14(15,16)17)7-9(11)8-12(19)13(20)18-5-6-22(2)21/h3-4,7-8H,5-6H2,1-2H3,(H,18,20)/t22-/m1/s1.
What are the key properties of 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide?
1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(R)-methylsulfinyl]ethyl]-5-(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 96562519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).