2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide

C19H21N5O2S — CID 27045966

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21N5O2S/c1-19(2,3)24-18(21-22-23-24)27-13-17(25)20-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyYYNPCQDQISUORA-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.95
Rot. Bonds6

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (PubChem CID 27045966) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
PubChem CID27045966
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H21N5O2S/c1-19(2,3)24-18(21-22-23-24)27-13-17(25)20-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,25)
InChIKeyYYNPCQDQISUORA-UHFFFAOYSA-N
XLogP3.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 51258408
butyl 4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 55441352
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 27045873
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1309478
2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7743076
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 18285275
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7415999
N-[4-[[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 24519065
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 27096576
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 27045972

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide (CID 27045966) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is CC(C)(C)n1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
The InChIKey is YYNPCQDQISUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-19(2,3)24-18(21-22-23-24)27-13-17(25)20-14-9-11-16(12-10-14)26-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,20,25).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 27045966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).