N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

C20H17N5OS — CID 5275068

IUPACN-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H17N5OS/c1-14-7-2-5-11-17(14)21-19(26)13-27-20-22-23-24-25(20)18-12-6-9-15-8-3-4-10-16(15)18/h2-12H,13H2,1H3,(H,21,26)
InChIKeyQXWOSXUGQVWYAC-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.85
Rot. Bonds5

About N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide

N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 5275068) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
PubChem CID5275068
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C20H17N5OS/c1-14-7-2-5-11-17(14)21-19(26)13-27-20-22-23-24-25(20)18-12-6-9-15-8-3-4-10-16(15)18/h2-12H,13H2,1H3,(H,21,26)
InChIKeyQXWOSXUGQVWYAC-UHFFFAOYSA-N
XLogP3.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide (CID 5275068) is N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is Cc1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is QXWOSXUGQVWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-14-7-2-5-11-17(14)21-19(26)13-27-20-22-23-24-25(20)18-12-6-9-15-8-3-4-10-16(15)18/h2-12H,13H2,1H3,(H,21,26).
What are the key properties of N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide?
N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 375.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 5275068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).