(2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

C18H17N5OS — CID 2661463

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17N5OS/c1-13(17(24)22-12-11-14-7-5-6-10-16(14)22)25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3/t13-/m1/s1
InChIKeyRFGRLZTYHJMUMJ-CYBMUJFWSA-N
MW351.44 g/mol
LogP2.73
Rot. Bonds4

About (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one

(2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (PubChem CID 2661463) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
PubChem CID2661463
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
SMILESC[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17N5OS/c1-13(17(24)22-12-11-14-7-5-6-10-16(14)22)25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3/t13-/m1/s1
InChIKeyRFGRLZTYHJMUMJ-CYBMUJFWSA-N
XLogP2.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one (CID 2661463) is (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one is C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
The InChIKey is RFGRLZTYHJMUMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-13(17(24)22-12-11-14-7-5-6-10-16(14)22)25-18-19-20-21-23(18)15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one?
(2R)-1-(2,3-dihydroindol-1-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one has a molecular weight of 351.44 g/mol, XLogP of 2.73, 4 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-phenyltetrazol-5-yl)sulfanylpropan-1-one is sourced from PubChem (CID 2661463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).