2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide

C18H21N5OS — CID 51270251

IUPAC2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
SMILESCC(C)Cn1nnnc1SC(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H21N5OS/c1-12(2)11-23-18(20-21-22-23)25-13(3)17(24)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13H,11H2,1-3H3,(H,19,24)
InChIKeyDRDIHJRQYGZHOW-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.60
Rot. Bonds6

About 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide

2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide (PubChem CID 51270251) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
PubChem CID51270251
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
SMILESCC(C)Cn1nnnc1SC(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H21N5OS/c1-12(2)11-23-18(20-21-22-23)25-13(3)17(24)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13H,11H2,1-3H3,(H,19,24)
InChIKeyDRDIHJRQYGZHOW-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270329
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16508706
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 16535787
(2S)-N-naphthalen-1-yl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7561558
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide
CID 8797973
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 51270256
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
(2R)-N-naphthalen-1-yl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40652783
N-(3-cyanophenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 46648435
N-(4-acetylphenyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylpropanamide
CID 51270221
(2S)-N-naphthalen-1-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558347
(2S)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 9141866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide (CID 51270251) is 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide is CC(C)Cn1nnnc1SC(C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide?
The InChIKey is DRDIHJRQYGZHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12(2)11-23-18(20-21-22-23)25-13(3)17(24)19-16-10-6-8-14-7-4-5-9-15(14)16/h4-10,12-13H,11H2,1-3H3,(H,19,24).
What are the key properties of 2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide?
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-naphthalen-1-ylpropanamide has a molecular weight of 355.47 g/mol, XLogP of 3.60, 6 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-naphthalen-1-ylpropanamide is sourced from PubChem (CID 51270251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).