2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide

C13H15F2N5OS — CID 27045873

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N5OS/c1-13(2,3)20-12(17-18-19-20)22-7-11(21)16-8-4-5-9(14)10(15)6-8/h4-6H,7H2,1-3H3,(H,16,21)
InChIKeyCPERBOKDIIBRRG-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.44
Rot. Bonds4

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide (PubChem CID 27045873) has the molecular formula C13H15F2N5OS and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
PubChem CID27045873
Molecular FormulaC13H15F2N5OS
Molecular Weight327.36 g/mol
Exact Mass327.10
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N5OS/c1-13(2,3)20-12(17-18-19-20)22-7-11(21)16-8-4-5-9(14)10(15)6-8/h4-6H,7H2,1-3H3,(H,16,21)
InChIKeyCPERBOKDIIBRRG-UHFFFAOYSA-N
XLogP2.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 51258408
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 3388593
butyl 4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 55441352
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-chloro-2-nitrophenyl)acetamide
CID 27045960
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7661482
N-(3-chloro-4-fluorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4575267
2-[[2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 34397807
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-methyltetrazol-5-yl)sulfanyl-N-[7-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]naphthalen-2-yl]acetamide
CID 17325042
N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139235
2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 4906358

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide (CID 27045873) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide is CC(C)(C)n1nnnc1SCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
The InChIKey is CPERBOKDIIBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5OS/c1-13(2,3)20-12(17-18-19-20)22-7-11(21)16-8-4-5-9(14)10(15)6-8/h4-6H,7H2,1-3H3,(H,16,21).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 27045873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).