N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide

C12H15N5OS — CID 17394512

IUPACN-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1nnnn1-c1ccccc1C
InChIInChI=1S/C12H15N5OS/c1-9-5-3-4-6-11(9)17-12(14-15-16-17)19-8-7-13-10(2)18/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyGBJJRMJYBNWZIS-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.20
Rot. Bonds5

About N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide

N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide (PubChem CID 17394512) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
PubChem CID17394512
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
SMILESCC(=O)NCCSc1nnnn1-c1ccccc1C
InChIInChI=1S/C12H15N5OS/c1-9-5-3-4-6-11(9)17-12(14-15-16-17)19-8-7-13-10(2)18/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyGBJJRMJYBNWZIS-UHFFFAOYSA-N
XLogP1.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 3678773
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
N-benzyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2420493
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686311
1-(4-methyl-3-nitrophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7646516
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
N-(2-benzylsulfanylethyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7886326
1-(4-bromophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 4043984
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4542739

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide?
The IUPAC name of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide (CID 17394512) is N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide?
The canonical SMILES for N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide is CC(=O)NCCSc1nnnn1-c1ccccc1C.
What is the InChIKey of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide?
The InChIKey is GBJJRMJYBNWZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9-5-3-4-6-11(9)17-12(14-15-16-17)19-8-7-13-10(2)18/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide?
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide is sourced from PubChem (CID 17394512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).