N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C14H19N5OS — CID 2615701

IUPACN-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H19N5OS/c1-10-5-7-11(8-6-10)19-13(16-17-18-19)21-9-12(20)15-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,20)
InChIKeyVEZHIZWICLDSRO-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.98
Rot. Bonds4

About N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2615701) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2615701
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H19N5OS/c1-10-5-7-11(8-6-10)19-13(16-17-18-19)21-9-12(20)15-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,20)
InChIKeyVEZHIZWICLDSRO-UHFFFAOYSA-N
XLogP1.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 598507
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618
N-[(2S)-5-methylhexan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684772
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
N-(tert-butylcarbamoyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7534560
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 55398072
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
N-(2,6-dichloro-3-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616052
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2615751

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2615701) is N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is VEZHIZWICLDSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-5-7-11(8-6-10)19-13(16-17-18-19)21-9-12(20)15-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,20).
What are the key properties of N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2615701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).