N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C16H22N6O2S — CID 645894

IUPACN-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N6O2S/c1-12(2)22-16(18-19-20-22)25-11-15(23)17-13-5-3-4-6-14(13)21-7-9-24-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,17,23)
InChIKeyVMNYXYDPHKHXOJ-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.82
Rot. Bonds6

About N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 645894) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID645894
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H22N6O2S/c1-12(2)22-16(18-19-20-22)25-11-15(23)17-13-5-3-4-6-14(13)21-7-9-24-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,17,23)
InChIKeyVMNYXYDPHKHXOJ-UHFFFAOYSA-N
XLogP1.82
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 645894) is N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is VMNYXYDPHKHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12(2)22-16(18-19-20-22)25-11-15(23)17-13-5-3-4-6-14(13)21-7-9-24-10-8-21/h3-6,12H,7-11H2,1-2H3,(H,17,23).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 362.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 645894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).