N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide

C17H15F3N2O2S — CID 617829

IUPACN-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccs1
InChIInChI=1S/C17H15F3N2O2S/c1-10-12(6-7-21-16(23)15-3-2-8-25-15)13-9-11(24-17(18,19)20)4-5-14(13)22-10/h2-5,8-9,22H,6-7H2,1H3,(H,21,23)
InChIKeyHTIBGERZQVDGQY-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.41
Rot. Bonds5

About N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide

N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide (PubChem CID 617829) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
PubChem CID617829
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC NameN-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccs1
InChIInChI=1S/C17H15F3N2O2S/c1-10-12(6-7-21-16(23)15-3-2-8-25-15)13-9-11(24-17(18,19)20)4-5-14(13)22-10/h2-5,8-9,22H,6-7H2,1H3,(H,21,23)
InChIKeyHTIBGERZQVDGQY-UHFFFAOYSA-N
XLogP4.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 71296706
4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide
CID 615130
N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-3-nitrobenzamide
CID 44616010
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
propan-2-yl (1R,6R)-6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 1265746
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl] N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]carbamate
CID 68621214
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 113086198
6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide
CID 44624873

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide (CID 617829) is N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide is Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccs1.
What is the InChIKey of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is HTIBGERZQVDGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-10-12(6-7-21-16(23)15-3-2-8-25-15)13-9-11(24-17(18,19)20)4-5-14(13)22-10/h2-5,8-9,22H,6-7H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 617829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).