2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide

C18H17N5O2S — CID 562108

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1
InChIInChI=1S/C18H17N5O2S/c24-16(15-9-5-2-6-10-15)11-19-17(25)13-26-18-20-21-22-23(18)12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,25)
InChIKeyPYIABIAKSKQJSL-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.81
Rot. Bonds8

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide (PubChem CID 562108) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
PubChem CID562108
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1
InChIInChI=1S/C18H17N5O2S/c24-16(15-9-5-2-6-10-15)11-19-17(25)13-26-18-20-21-22-23(18)12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,25)
InChIKeyPYIABIAKSKQJSL-UHFFFAOYSA-N
XLogP1.81
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Benzyltetrazol-5-yl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 3231631
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
CID 660361
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-phenethyl-acetamide
CID 652875
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-phenyl-ethanone
CID 656235
N-Benzyl-2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1076019
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-1-(4-fluoro-phenyl)-ethanone
CID 1383769
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexylacetamide
CID 1508512
N-[[1-(2-oxopropyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 44448577
N-benzhydryl-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 16293977
N-(5-((2-oxo-2-(phenethylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 18561278
3-(1-Benzyltetrazol-5-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one
CID 16570874
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 17479763

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide (CID 562108) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide is O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
The InChIKey is PYIABIAKSKQJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c24-16(15-9-5-2-6-10-15)11-19-17(25)13-26-18-20-21-22-23(18)12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,25).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide has a molecular weight of 367.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-phenacylacetamide is sourced from PubChem (CID 562108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).