N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H15N5OS2 — CID 2621330

IUPACN-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C16H15N5OS2/c1-23-14-10-6-5-9-13(14)17-15(22)11-24-16-18-19-20-21(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyIQCVJOATGKITSJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.12
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2621330) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2621330
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC NameN-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C16H15N5OS2/c1-23-14-10-6-5-9-13(14)17-15(22)11-24-16-18-19-20-21(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22)
InChIKeyIQCVJOATGKITSJ-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 5102802
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
N-(4-Acetylamino-phenyl)-2-[1-(4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1075034
N-(2-methylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 1294921
N-(2,5-dimethylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 2211422
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2343526
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4272280
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4898224

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2621330) is N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CSc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is IQCVJOATGKITSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-23-14-10-6-5-9-13(14)17-15(22)11-24-16-18-19-20-21(16)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,22).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 357.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).