3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

C17H13F3N2O3S2 — CID 92707358

IUPAC3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESC[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C17H13F3N2O3S2/c1-10-8-11-4-2-3-5-13(11)22(10)27(23,24)16-7-6-14(26-16)12-9-15(25-21-12)17(18,19)20/h2-7,9-10H,8H2,1H3/t10-/m0/s1
InChIKeyLKTOEPNZFKUGTM-JTQLQIEISA-N
MW414.43 g/mol
LogP4.56
Rot. Bonds3

About 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 92707358) has the molecular formula C17H13F3N2O3S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID92707358
Molecular FormulaC17H13F3N2O3S2
Molecular Weight414.43 g/mol
Exact Mass414.03
IUPAC Name3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESC[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C17H13F3N2O3S2/c1-10-8-11-4-2-3-5-13(11)22(10)27(23,24)16-7-6-14(26-16)12-9-15(25-21-12)17(18,19)20/h2-7,9-10H,8H2,1H3/t10-/m0/s1
InChIKeyLKTOEPNZFKUGTM-JTQLQIEISA-N
XLogP4.56
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole 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

5-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2-oxazole
CID 53112003
3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 7222334
methyl 3-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 2742796
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
carbonic acid;N-[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 67525406
trans-(1S,3R)-2-methyl-3-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxamide
CID 70897881
2-[5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067992
tert-butyl (1S,2R,3R)-2-methyl-3-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylate
CID 67524730
3-(3-fluorophenyl)-5-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-3-yl]-1,2,4-oxadiazole
CID 95092100
5-ethyl-3-[5-methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]-1,2,4-oxadiazole
CID 53041587
N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935943
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole (CID 92707358) is 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole is C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is LKTOEPNZFKUGTM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F3N2O3S2/c1-10-8-11-4-2-3-5-13(11)22(10)27(23,24)16-7-6-14(26-16)12-9-15(25-21-12)17(18,19)20/h2-7,9-10H,8H2,1H3/t10-/m0/s1.
What are the key properties of 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 414.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 92707358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).