2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide

C16H15N5O2S — CID 864596

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H15N5O2S/c1-23-14-9-7-13(8-10-14)21-16(18-19-20-21)24-11-15(22)17-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyMICCIASJWREYHJ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.40
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide (PubChem CID 864596) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
PubChem CID864596
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H15N5O2S/c1-23-14-9-7-13(8-10-14)21-16(18-19-20-21)24-11-15(22)17-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyMICCIASJWREYHJ-UHFFFAOYSA-N
XLogP2.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide 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

Propanamide, N-(4-methoxyphenyl)-3-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
CID 3916392
N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-[1-(4-Methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
CID 1263400
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
N-(4-methoxyphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 670664
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-(4-ethoxyphenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731967
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
4-((1-(4-Methoxyphenyl)-1H-tetrazol-5-yl)thio)but-2-yn-1-ol
CID 666301

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide (CID 864596) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The InChIKey is MICCIASJWREYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-23-14-9-7-13(8-10-14)21-16(18-19-20-21)24-11-15(22)17-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide has a molecular weight of 341.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 864596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).