N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C11H12BrN5OS — CID 704448

IUPACN-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN5OS/c1-2-17-11(14-15-16-17)19-7-10(18)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,18)
InChIKeyJORNBURICRHNIA-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.19
Rot. Bonds5

About N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 704448) has the molecular formula C11H12BrN5OS and a molecular weight of 342.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID704448
Molecular FormulaC11H12BrN5OS
Molecular Weight342.22 g/mol
Exact Mass340.99
IUPAC NameN-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN5OS/c1-2-17-11(14-15-16-17)19-7-10(18)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,18)
InChIKeyJORNBURICRHNIA-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 980218
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-(3-Acetylamino-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647370
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739
N-(3-Acetylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 648551
N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-(4-dimethylamino-phenyl)-acetamide
CID 3212954
N-(4-Dimethylamino-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 855255
N-(3-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452353

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 704448) is N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JORNBURICRHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5OS/c1-2-17-11(14-15-16-17)19-7-10(18)13-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,13,18).
What are the key properties of N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 342.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 704448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).