(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one

C21H23N5OS — CID 7561571

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
SMILESCC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H23N5OS/c1-14(2)16-8-10-18(11-9-16)26-21(22-23-24-26)28-15(3)20(27)25-13-12-17-6-4-5-7-19(17)25/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyYEFZPYJJDLUDLD-OAHLLOKOSA-N
MW393.52 g/mol
LogP3.86
Rot. Bonds5

About (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one

(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one (PubChem CID 7561571) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
PubChem CID7561571
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
SMILESCC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H23N5OS/c1-14(2)16-8-10-18(11-9-16)26-21(22-23-24-26)28-15(3)20(27)25-13-12-17-6-4-5-7-19(17)25/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyYEFZPYJJDLUDLD-OAHLLOKOSA-N
XLogP3.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one 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

1-(2,3-dihydroindol-1-yl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 18776114
N-[3-[5-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 46572740
(2R)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7713689
(2R)-1-(azepan-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8997529
(2S)-1-(azepan-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8997526
(2S)-N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8915829
N-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 18193854
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7465434
(2R)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 8858909
1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 23917352
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 8827702
(2S)-2-(4-aminophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 51524524

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one (CID 7561571) is (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one is CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
The InChIKey is YEFZPYJJDLUDLD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-14(2)16-8-10-18(11-9-16)26-21(22-23-24-26)28-15(3)20(27)25-13-12-17-6-4-5-7-19(17)25/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one?
(2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one has a molecular weight of 393.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydroindol-1-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropan-1-one is sourced from PubChem (CID 7561571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).