(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

C14H17N5O2S — CID 95347603

IUPAC(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESNC(=O)[C@H](Sc1nnnn1C1CCOCC1)c1ccccc1
InChIInChI=1S/C14H17N5O2S/c15-13(20)12(10-4-2-1-3-5-10)22-14-16-17-18-19(14)11-6-8-21-9-7-11/h1-5,11-12H,6-9H2,(H2,15,20)/t12-/m1/s1
InChIKeyNVMCIFCJUCJORG-GFCCVEGCSA-N
MW319.39 g/mol
LogP1.34
Rot. Bonds5

About (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide

(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 95347603) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID95347603
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESNC(=O)[C@H](Sc1nnnn1C1CCOCC1)c1ccccc1
InChIInChI=1S/C14H17N5O2S/c15-13(20)12(10-4-2-1-3-5-10)22-14-16-17-18-19(14)11-6-8-21-9-7-11/h1-5,11-12H,6-9H2,(H2,15,20)/t12-/m1/s1
InChIKeyNVMCIFCJUCJORG-GFCCVEGCSA-N
XLogP1.34
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 95347603) is (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is NC(=O)[C@H](Sc1nnnn1C1CCOCC1)c1ccccc1.
What is the InChIKey of (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is NVMCIFCJUCJORG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5O2S/c15-13(20)12(10-4-2-1-3-5-10)22-14-16-17-18-19(14)11-6-8-21-9-7-11/h1-5,11-12H,6-9H2,(H2,15,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide?
(2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 319.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 95347603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).