(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C13H15N5O3S — CID 97266135

IUPAC(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C13H15N5O3S/c19-13(15-11-6-7-22(20,21)8-11)12(18-9-14-16-17-18)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,15,19)/t11-,12-/m1/s1
InChIKeyFVOYUGATPPWITN-VXGBXAGGSA-N
MW321.36 g/mol
LogP-0.43
Rot. Bonds4

About (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 97266135) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID97266135
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C13H15N5O3S/c19-13(15-11-6-7-22(20,21)8-11)12(18-9-14-16-17-18)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,15,19)/t11-,12-/m1/s1
InChIKeyFVOYUGATPPWITN-VXGBXAGGSA-N
XLogP-0.43
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-cyclohexyl-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 39350754
(2R)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 132992813
(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 52996944
(2R)-N-[(4R)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95395494
(2R)-N-[(4S)-2,2-dimethyloxan-4-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95395495
2-chloro-N-(1,1-dioxothiolan-3-yl)-2-phenylacetamide
CID 43245495
3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
CID 119670194
(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124851461
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
(2R)-N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 99797044
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
(2S)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 125444082

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 97266135) is (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is FVOYUGATPPWITN-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H15N5O3S/c19-13(15-11-6-7-22(20,21)8-11)12(18-9-14-16-17-18)10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,15,19)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 321.36 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 97266135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).