2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide

C15H21N5OS — CID 51270218

IUPAC2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(C)Cn1nnnc1SCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-11(2)9-20-15(17-18-19-20)22-10-14(21)16-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,21)
InChIKeyBEQBUKXYHSRNRF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.30
Rot. Bonds7

About 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide

2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 51270218) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID51270218
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(C)Cn1nnnc1SCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-11(2)9-20-15(17-18-19-20)22-10-14(21)16-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,21)
InChIKeyBEQBUKXYHSRNRF-UHFFFAOYSA-N
XLogP2.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylethyl)-2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylacetamide
CID 51106587
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[1-(4-bromophenyl)ethyl]acetamide
CID 46673009
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7647417
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 35723023
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 7534488
N-(3-methyl-1-phenylbutyl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetamide
CID 60564225
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 8858207
2-[5-[2-(benzhydrylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetic acid
CID 5302586
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 44654356

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide (CID 51270218) is 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide is CC(C)Cn1nnnc1SCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is BEQBUKXYHSRNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(2)9-20-15(17-18-19-20)22-10-14(21)16-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,21).
What are the key properties of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide?
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 51270218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).