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

C16H23N5OS — CID 51270313

IUPAC2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(C)Cn1nnnc1SC(C)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H23N5OS/c1-12(2)11-21-16(18-19-20-21)23-13(3)15(22)17-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,22)
InChIKeyKQUMYLKZEFJULF-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.17
Rot. Bonds8

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

2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 51270313) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID51270313
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(C)Cn1nnnc1SC(C)C(=O)NCCc1ccccc1
InChIInChI=1S/C16H23N5OS/c1-12(2)11-21-16(18-19-20-21)23-13(3)15(22)17-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,22)
InChIKeyKQUMYLKZEFJULF-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234344
(2S)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 9002573
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 51270251
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234652
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 24520234
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234640
(2S)-N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7042204
N-(ethylcarbamoyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 42923555
N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
CID 46641076

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide (CID 51270313) is 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide is CC(C)Cn1nnnc1SC(C)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is KQUMYLKZEFJULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12(2)11-21-16(18-19-20-21)23-13(3)15(22)17-10-9-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,22).
What are the key properties of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide?
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.17, 8 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-(2-phenylethyl)propanamide is sourced from PubChem (CID 51270313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).