2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

C16H14BrN5O2S — CID 39127304

IUPAC2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(-n3nnnc3SC)c2)c1
InChIInChI=1S/C16H14BrN5O2S/c1-24-12-6-7-14(17)13(9-12)15(23)18-10-4-3-5-11(8-10)22-16(25-2)19-20-21-22/h3-9H,1-2H3,(H,18,23)
InChIKeyXQAFUGQKTSWSRA-UHFFFAOYSA-N
MW420.29 g/mol
LogP3.41
Rot. Bonds5

About 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 39127304) has the molecular formula C16H14BrN5O2S and a molecular weight of 420.29 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID39127304
Molecular FormulaC16H14BrN5O2S
Molecular Weight420.29 g/mol
Exact Mass419.01
IUPAC Name2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(-n3nnnc3SC)c2)c1
InChIInChI=1S/C16H14BrN5O2S/c1-24-12-6-7-14(17)13(9-12)15(23)18-10-4-3-5-11(8-10)22-16(25-2)19-20-21-22/h3-9H,1-2H3,(H,18,23)
InChIKeyXQAFUGQKTSWSRA-UHFFFAOYSA-N
XLogP3.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 39127304) is 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2cccc(-n3nnnc3SC)c2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is XQAFUGQKTSWSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2S/c1-24-12-6-7-14(17)13(9-12)15(23)18-10-4-3-5-11(8-10)22-16(25-2)19-20-21-22/h3-9H,1-2H3,(H,18,23).
What are the key properties of 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 420.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 39127304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).