N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H9Br2N5OS — CID 2355094

IUPACN-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H9Br2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyLAGZIGQTLDBDEL-UHFFFAOYSA-N
MW407.09 g/mol
LogP2.47
Rot. Bonds4

About N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2355094) has the molecular formula C10H9Br2N5OS and a molecular weight of 407.09 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2355094
Molecular FormulaC10H9Br2N5OS
Molecular Weight407.09 g/mol
Exact Mass404.89
IUPAC NameN-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H9Br2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18)
InChIKeyLAGZIGQTLDBDEL-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.09
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 980218
N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4879533
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dibromophenyl)acetamide
CID 4143032
N-(2,4-dibromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 5074820
N-(4-Bromophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 593620
N-(2-bromo-4,6-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2482456
2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 4813931
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2380749
N-(4-bromophenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 598836
N-[3-(acetylamino)phenyl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]acetamide
CID 1301815
N-(4-bromo-2-fluorophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2524367
N-(2-bromophenyl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 3913887

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2355094) is N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is LAGZIGQTLDBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N5OS/c1-17-10(14-15-16-17)19-5-9(18)13-8-3-2-6(11)4-7(8)12/h2-4H,5H2,1H3,(H,13,18).
What are the key properties of N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 407.09 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2355094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).