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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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1081029
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573256
1-[2-[1-(2-Methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
CID 24818352
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
CID 645218

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).