N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H13Br2N5OS — CID 4879533

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)Sc2nnnn2C)c(Br)c1
InChIInChI=1S/C12H13Br2N5OS/c1-6-4-8(13)10(9(14)5-6)15-11(20)7(2)21-12-16-17-18-19(12)3/h4-5,7H,1-3H3,(H,15,20)
InChIKeyAIVPNJVBRWYBGH-UHFFFAOYSA-N
MW435.15 g/mol
LogP3.16
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4879533) has the molecular formula C12H13Br2N5OS and a molecular weight of 435.15 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4879533
Molecular FormulaC12H13Br2N5OS
Molecular Weight435.15 g/mol
Exact Mass432.92
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)Sc2nnnn2C)c(Br)c1
InChIInChI=1S/C12H13Br2N5OS/c1-6-4-8(13)10(9(14)5-6)15-11(20)7(2)21-12-16-17-18-19(12)3/h4-5,7H,1-3H3,(H,15,20)
InChIKeyAIVPNJVBRWYBGH-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 2389896
N-(2,4-dibromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2355094
N-(2-bromophenyl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 3913887
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 2900412
N-(2,6-dibromo-4-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4640825
N-(2-bromo-4-methylphenyl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24500455
N-(2-bromo-4,6-difluorophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 36464354
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 42041323
N-(3-fluoro-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 74510508
N-(4-bromophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 745575
N-(4-bromo-3-methylphenyl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
CID 853955

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 4879533) is N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cc1cc(Br)c(NC(=O)C(C)Sc2nnnn2C)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is AIVPNJVBRWYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N5OS/c1-6-4-8(13)10(9(14)5-6)15-11(20)7(2)21-12-16-17-18-19(12)3/h4-5,7H,1-3H3,(H,15,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 435.15 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4879533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).