2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide

C13H17N5OS — CID 2096429

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
SMILESCn1nnnc1SCC(=O)NCCCc1ccccc1
InChIInChI=1S/C13H17N5OS/c1-18-13(15-16-17-18)20-10-12(19)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,19)
InChIKeyAUHPABOYXAOCNP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.05
Rot. Bonds7

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide (PubChem CID 2096429) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
PubChem CID2096429
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide
SMILESCn1nnnc1SCC(=O)NCCCc1ccccc1
InChIInChI=1S/C13H17N5OS/c1-18-13(15-16-17-18)20-10-12(19)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,19)
InChIKeyAUHPABOYXAOCNP-UHFFFAOYSA-N
XLogP1.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)thio]acetamide
CID 2823496
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenacylacetamide
CID 660361
1-benzyl-4-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}piperazine
CID 851622
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2362783
N-(3-phenylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2392214
N-(4-ethylbenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]ethanamine hydrochloride
CID 2966768
N-Benzyl-2-(1-butyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 3212943
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4875437
1-[2-(3-fluorophenyl)ethyl]-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}-6-oxo-3-piperidinecarboxamide
CID 24793025
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4878952
N-(2-((1-methyl-1H-tetrazol-5-yl)thio)ethyl)-3-phenylprop-2-yn-1-amine hydrochloride
CID 2978940

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide (CID 2096429) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide is Cn1nnnc1SCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
The InChIKey is AUHPABOYXAOCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-18-13(15-16-17-18)20-10-12(19)14-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,19).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2096429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).