(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C20H21N5O2S — CID 41134175

IUPAC(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N5O2S/c26-19(21-14-17-12-7-13-27-17)18(15-8-3-1-4-9-15)28-20-22-23-24-25(20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,26)/t17-,18-/m1/s1
InChIKeyQTMFRKTYLYQLOY-QZTJIDSGSA-N
MW395.49 g/mol
LogP2.79
Rot. Bonds7

About (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 41134175) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID41134175
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N5O2S/c26-19(21-14-17-12-7-13-27-17)18(15-8-3-1-4-9-15)28-20-22-23-24-25(20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,26)/t17-,18-/m1/s1
InChIKeyQTMFRKTYLYQLOY-QZTJIDSGSA-N
XLogP2.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide 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

(2S)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40810513
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 51901759
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2610421
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide
CID 96564347
5-[[(2R)-oxan-2-yl]methylsulfanyl]-1-phenyltetrazole
CID 8003667
(2S)-N-cyclopropyl-2-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8915841
N-[2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 124530107
N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 23854682
(2R)-N-(2,5-dimethylphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 41138245
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210281

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 41134175) is (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(NC[C@H]1CCCO1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is QTMFRKTYLYQLOY-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-19(21-14-17-12-7-13-27-17)18(15-8-3-1-4-9-15)28-20-22-23-24-25(20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,26)/t17-,18-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 395.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 41134175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).