3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide

C14H19N5OS — CID 35723023

IUPAC3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
SMILESCC(C)Cn1nnnc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-11(2)10-19-14(16-17-18-19)21-9-8-13(20)15-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,20)
InChIKeyUSOQUDVNGPRJKK-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.45
Rot. Bonds7

About 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide

3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide (PubChem CID 35723023) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
PubChem CID35723023
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
SMILESCC(C)Cn1nnnc1SCCC(=O)Nc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-11(2)10-19-14(16-17-18-19)21-9-8-13(20)15-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,20)
InChIKeyUSOQUDVNGPRJKK-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-3-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylpropanamide
CID 52848661
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)propanamide
CID 46632859
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51270218
3-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 3503382
3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 46683632
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 55462827
3-[[5-(1-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 25247010
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 37045599
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795150
2-[2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylethyl]isoindole-1,3-dione
CID 36794835
N-phenyl-3-propan-2-ylsulfanylpropanamide
CID 163921680

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide (CID 35723023) is 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide is CC(C)Cn1nnnc1SCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is USOQUDVNGPRJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11(2)10-19-14(16-17-18-19)21-9-8-13(20)15-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,20).
What are the key properties of 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide?
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 305.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 35723023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).