(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H22N4O3S — CID 25355714

IUPAC(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-14-4-6-15(7-5-14)20-22-19(27-23-20)12-24-13(2)10-16-11-17(28(21,25)26)8-9-18(16)24/h4-9,11,13H,3,10,12H2,1-2H3,(H2,21,25,26)/t13-/m1/s1
InChIKeySDPVELSVRXVJMJ-CYBMUJFWSA-N
MW398.49 g/mol
LogP2.90
Rot. Bonds5

About (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 25355714) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID25355714
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-14-4-6-15(7-5-14)20-22-19(27-23-20)12-24-13(2)10-16-11-17(28(21,25)26)8-9-18(16)24/h4-9,11,13H,3,10,12H2,1-2H3,(H2,21,25,26)/t13-/m1/s1
InChIKeySDPVELSVRXVJMJ-CYBMUJFWSA-N
XLogP2.90
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

(2S)-1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918753
5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
(2R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51725307
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25382319
(2R)-1-[(2-cyanophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25412404
3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25336487
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583
(2S)-1-(1,3-benzothiazol-2-ylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40954244
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 25355714) is (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CCc1ccc(-c2noc(CN3c4ccc(S(N)(=O)=O)cc4C[C@H]3C)n2)cc1.
What is the InChIKey of (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SDPVELSVRXVJMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-14-4-6-15(7-5-14)20-22-19(27-23-20)12-24-13(2)10-16-11-17(28(21,25)26)8-9-18(16)24/h4-9,11,13H,3,10,12H2,1-2H3,(H2,21,25,26)/t13-/m1/s1.
What are the key properties of (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 25355714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).