2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide

C15H21N5OS — CID 75503014

IUPAC2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)Sc1nnnn1C(C)(C)C
InChIInChI=1S/C15H21N5OS/c1-15(2,3)20-14(17-18-19-20)22-12(13(21)16-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,21)
InChIKeyDGLSKAFRDXKMAT-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.88
Rot. Bonds5

About 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide

2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide (PubChem CID 75503014) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
PubChem CID75503014
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)Sc1nnnn1C(C)(C)C
InChIInChI=1S/C15H21N5OS/c1-15(2,3)20-14(17-18-19-20)22-12(13(21)16-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,21)
InChIKeyDGLSKAFRDXKMAT-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide (CID 75503014) is 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)Sc1nnnn1C(C)(C)C.
What is the InChIKey of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide?
The InChIKey is DGLSKAFRDXKMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-15(2,3)20-14(17-18-19-20)22-12(13(21)16-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,21).
What are the key properties of 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide?
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 75503014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).