2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide

C11H12FN5OS — CID 855256

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN5OS/c1-2-17-11(14-15-16-17)19-7-10(18)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,18)
InChIKeyGEGRQMCYUYCTBI-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.56
Rot. Bonds5

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 855256) has the molecular formula C11H12FN5OS and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID855256
Molecular FormulaC11H12FN5OS
Molecular Weight281.32 g/mol
Exact Mass281.07
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H12FN5OS/c1-2-17-11(14-15-16-17)19-7-10(18)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,18)
InChIKeyGEGRQMCYUYCTBI-UHFFFAOYSA-N
XLogP1.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)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-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(4-fluorophenyl)acetamide
CID 2231699
N-(4-Fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593552
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(2,4-difluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 703294
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1224972
N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide (CID 855256) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide is CCn1nnnc1SCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is GEGRQMCYUYCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5OS/c1-2-17-11(14-15-16-17)19-7-10(18)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,18).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 855256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).