N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C17H17N5O2S — CID 982774

IUPACN-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C17H17N5O2S/c1-2-24-15-11-7-6-10-14(15)18-16(23)12-25-17-19-20-21-22(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,23)
InChIKeyZIKPPXWJFRLWQN-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.79
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 982774) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID982774
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C17H17N5O2S/c1-2-24-15-11-7-6-10-14(15)18-16(23)12-25-17-19-20-21-22(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,23)
InChIKeyZIKPPXWJFRLWQN-UHFFFAOYSA-N
XLogP2.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 982774) is N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZIKPPXWJFRLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-2-24-15-11-7-6-10-14(15)18-16(23)12-25-17-19-20-21-22(17)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 982774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).