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

C23H22N6O2S — CID 5275085

IUPACN-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H22N6O2S/c30-22(24-19-9-3-4-10-21(19)28-12-14-31-15-13-28)16-32-23-25-26-27-29(23)20-11-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,30)
InChIKeyGJHRHJRSYMWJAQ-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.38
Rot. Bonds6

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

N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 5275085) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID5275085
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C23H22N6O2S/c30-22(24-19-9-3-4-10-21(19)28-12-14-31-15-13-28)16-32-23-25-26-27-29(23)20-11-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,30)
InChIKeyGJHRHJRSYMWJAQ-UHFFFAOYSA-N
XLogP3.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.38
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-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 5275085) is N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is GJHRHJRSYMWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c30-22(24-19-9-3-4-10-21(19)28-12-14-31-15-13-28)16-32-23-25-26-27-29(23)20-11-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H,24,30).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2-morpholin-4-ylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 446.54 g/mol, XLogP of 3.38, 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-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 5275085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).