2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide

C16H15N5OS — CID 853335

IUPAC2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H15N5OS/c1-12-6-5-9-14(10-12)21-16(18-19-20-21)23-11-15(22)17-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyYGWDYBHTEMNEJH-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.70
Rot. Bonds5

About 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide

2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide (PubChem CID 853335) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
PubChem CID853335
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
SMILESCc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H15N5OS/c1-12-6-5-9-14(10-12)21-16(18-19-20-21)23-11-15(22)17-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22)
InChIKeyYGWDYBHTEMNEJH-UHFFFAOYSA-N
XLogP2.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 1455252
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 42067738
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 1075019
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(2-fluoro-5-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2950071
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(phenylcarbamoyl)acetamide
CID 9061735
N-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 888613
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8805926
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1323060
N-(2,4-dimethoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648829

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide (CID 853335) is 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide is Cc1cccc(-n2nnnc2SCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
The InChIKey is YGWDYBHTEMNEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-12-6-5-9-14(10-12)21-16(18-19-20-21)23-11-15(22)17-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide?
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide has a molecular weight of 325.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 853335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).