N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide

C15H23N3O2S — CID 87039831

IUPACN-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSCc1ccccn1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)17-13(19)9-18(4)14(20)11-21-10-12-7-5-6-8-16-12/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeySVSOWPIAWUZGFJ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.69
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide (PubChem CID 87039831) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide
PubChem CID87039831
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSCc1ccccn1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)17-13(19)9-18(4)14(20)11-21-10-12-7-5-6-8-16-12/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeySVSOWPIAWUZGFJ-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide (CID 87039831) is N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSCc1ccccn1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide?
The InChIKey is SVSOWPIAWUZGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,3)17-13(19)9-18(4)14(20)11-21-10-12-7-5-6-8-16-12/h5-8H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]acetamide is sourced from PubChem (CID 87039831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).