2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide

C21H25N5OS — CID 18098761

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N5OS/c1-21(2,3)26-20(23-24-25-26)28-15-19(27)22-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,22,27)
InChIKeyZSGHYOFXZBPQOD-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.62
Rot. Bonds7

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide (PubChem CID 18098761) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
PubChem CID18098761
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
SMILESCC(C)(C)n1nnnc1SCC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N5OS/c1-21(2,3)26-20(23-24-25-26)28-15-19(27)22-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,22,27)
InChIKeyZSGHYOFXZBPQOD-UHFFFAOYSA-N
XLogP3.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-diphenylethyl)acetamide
CID 46814228
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]acetamide
CID 9379281
N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24572533
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40721416
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
CID 75503014
N-(1,2-diphenylethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18193675
N-(1,2-diphenylethyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42741765
N-(1,2-diphenylethyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18092540
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 27045966
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide (CID 18098761) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide is CC(C)(C)n1nnnc1SCC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide?
The InChIKey is ZSGHYOFXZBPQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-21(2,3)26-20(23-24-25-26)28-15-19(27)22-18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,22,27).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.62, 7 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-(1,2-diphenylethyl)acetamide is sourced from PubChem (CID 18098761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).