(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C23H22N4O2S — CID 135840746

IUPAC(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H22N4O2S/c1-14(21(28)25-20-12-6-8-15-7-2-3-9-16(15)20)30-23-27-26-22(29-23)18-13-24-19-11-5-4-10-17(18)19/h2-5,7,9-11,13-14,20,24H,6,8,12H2,1H3,(H,25,28)/t14-,20-/m1/s1
InChIKeyPSJLEVCFYZBIAF-JLTOFOAXSA-N
MW418.52 g/mol
LogP4.89
Rot. Bonds5

About (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 135840746) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID135840746
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C23H22N4O2S/c1-14(21(28)25-20-12-6-8-15-7-2-3-9-16(15)20)30-23-27-26-22(29-23)18-13-24-19-11-5-4-10-17(18)19/h2-5,7,9-11,13-14,20,24H,6,8,12H2,1H3,(H,25,28)/t14-,20-/m1/s1
InChIKeyPSJLEVCFYZBIAF-JLTOFOAXSA-N
XLogP4.89
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7418156
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
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(2R)-2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2572670
N-benzyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
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CID 135840718
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CID 4817204
N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
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CID 135588084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 135840746) is (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is PSJLEVCFYZBIAF-JLTOFOAXSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14(21(28)25-20-12-6-8-15-7-2-3-9-16(15)20)30-23-27-26-22(29-23)18-13-24-19-11-5-4-10-17(18)19/h2-5,7,9-11,13-14,20,24H,6,8,12H2,1H3,(H,25,28)/t14-,20-/m1/s1.
What are the key properties of (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 418.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 135840746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).