2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide

C15H21N5OS — CID 46641076

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
SMILESCCn1nnnc1SC(C)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-4-20-15(17-18-19-20)22-12(3)14(21)16-10-11(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,16,21)
InChIKeyKPJOZGZMCWPPHW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.09
Rot. Bonds7

About 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide

2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide (PubChem CID 46641076) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
PubChem CID46641076
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide
SMILESCCn1nnnc1SC(C)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-4-20-15(17-18-19-20)22-12(3)14(21)16-10-11(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,16,21)
InChIKeyKPJOZGZMCWPPHW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41236820
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 78763193
(2R)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)propanamide
CID 41260469
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
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 112779809
2-(1-ethyltetrazol-5-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 24520390
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 51325265
2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 112787024
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 24520234
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 75853925

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide (CID 46641076) is 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide is CCn1nnnc1SC(C)C(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide?
The InChIKey is KPJOZGZMCWPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-4-20-15(17-18-19-20)22-12(3)14(21)16-10-11(2)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,16,21).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide?
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltetrazol-5-yl)sulfanyl-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 46641076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).