N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide

C17H15N9OS — CID 55608809

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H15N9OS/c1-28-17-20-22-24-26(17)14-9-5-8-13(10-14)18-15(27)11-25-21-16(19-23-25)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,27)
InChIKeyYSOUXRLHMKHVNM-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.68
Rot. Bonds6

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 55608809) has the molecular formula C17H15N9OS and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID55608809
Molecular FormulaC17H15N9OS
Molecular Weight393.44 g/mol
Exact Mass393.11
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H15N9OS/c1-28-17-20-22-24-26(17)14-9-5-8-13(10-14)18-15(27)11-25-21-16(19-23-25)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,27)
InChIKeyYSOUXRLHMKHVNM-UHFFFAOYSA-N
XLogP1.68
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7589299
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 55608809) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide is CSc1nnnn1-c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is YSOUXRLHMKHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9OS/c1-28-17-20-22-24-26(17)14-9-5-8-13(10-14)18-15(27)11-25-21-16(19-23-25)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,27).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 55608809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).