2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide

C17H15BrClN5OS — CID 11669633

IUPAC2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESCc1cc(Br)cc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15BrClN5OS/c1-10-7-12(18)8-11(2)16(10)24-17(21-22-23-24)26-9-15(25)20-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyOHTGYMOOTPWZDX-UHFFFAOYSA-N
MW452.77 g/mol
LogP4.43
Rot. Bonds5

About 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide

2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide (PubChem CID 11669633) has the molecular formula C17H15BrClN5OS and a molecular weight of 452.77 g/mol. Its IUPAC name is 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
PubChem CID11669633
Molecular FormulaC17H15BrClN5OS
Molecular Weight452.77 g/mol
Exact Mass450.99
IUPAC Name2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
SMILESCc1cc(Br)cc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15BrClN5OS/c1-10-7-12(18)8-11(2)16(10)24-17(21-22-23-24)26-9-15(25)20-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyOHTGYMOOTPWZDX-UHFFFAOYSA-N
XLogP4.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-methylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11574920
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 26650117
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
N-(2-chlorophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2614104
N-(2-chloro-4-methylphenyl)-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5275184
2-[1-(2-bromo-4,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275067
N-(2-chloro-4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2714902
N-[2-[(2S)-butan-2-yl]phenyl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7531942
N-quinolin-5-yl-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11553194
N-(2,5-difluorophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 11552839
N-(2-chloro-4-methylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7474172

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide (CID 11669633) is 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide is Cc1cc(Br)cc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
The InChIKey is OHTGYMOOTPWZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5OS/c1-10-7-12(18)8-11(2)16(10)24-17(21-22-23-24)26-9-15(25)20-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide?
2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide has a molecular weight of 452.77 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 11669633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).