N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C14H19N5OS — CID 3212968

IUPACN-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-11(2)19-14(16-17-18-19)21-10-13(20)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,20)
InChIKeySIQIECPQHWZBBT-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.71
Rot. Bonds7

About N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 3212968) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID3212968
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NCCc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-11(2)19-14(16-17-18-19)21-10-13(20)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,20)
InChIKeySIQIECPQHWZBBT-UHFFFAOYSA-N
XLogP1.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 3212968) is N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SIQIECPQHWZBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11(2)19-14(16-17-18-19)21-10-13(20)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,20).
What are the key properties of N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3212968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).