N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C17H17N5OS — CID 2086004

IUPACN-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H17N5OS/c1-22-17(19-20-21-22)24-12-16(23)18-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyJWNLTRCWSRQKRB-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.53
Rot. Bonds6

About N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2086004) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2086004
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H17N5OS/c1-22-17(19-20-21-22)24-12-16(23)18-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyJWNLTRCWSRQKRB-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2086004) is N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JWNLTRCWSRQKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-22-17(19-20-21-22)24-12-16(23)18-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 339.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2086004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).