N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide

C16H13Br2N5OS — CID 3249730

IUPACN-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccc(Br)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13Br2N5OS/c17-11-1-5-13(6-2-11)19-15(24)9-10-25-16-20-21-22-23(16)14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,24)
InChIKeyUBVQFIANBALTJV-UHFFFAOYSA-N
MW483.19 g/mol
LogP4.31
Rot. Bonds6

About N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide

N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 3249730) has the molecular formula C16H13Br2N5OS and a molecular weight of 483.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID3249730
Molecular FormulaC16H13Br2N5OS
Molecular Weight483.19 g/mol
Exact Mass480.92
IUPAC NameN-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccc(Br)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13Br2N5OS/c17-11-1-5-13(6-2-11)19-15(24)9-10-25-16-20-21-22-23(16)14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,24)
InChIKeyUBVQFIANBALTJV-UHFFFAOYSA-N
XLogP4.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 46683632
N-(3-chlorophenyl)-3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 52546871
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 3570863
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
CID 7560622
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4212380
N-[4-[[2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]propanamide
CID 43811703
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4011653

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide (CID 3249730) is N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide is O=C(CCSc1nnnn1-c1ccc(Br)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is UBVQFIANBALTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N5OS/c17-11-1-5-13(6-2-11)19-15(24)9-10-25-16-20-21-22-23(16)14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,24).
What are the key properties of N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 483.19 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[1-(4-bromophenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 3249730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).