Skip to content

2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide

C16H26N4O3S — CID 121017001

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCSCCC(NC(C)=O)C(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C16H26N4O3S/c1-12(21)18-15(6-8-24-2)16(22)19-13-9-17-20(10-13)11-14-5-3-4-7-23-14/h9-10,14-15H,3-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUEIDZMHBDQNMHV-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.65
Rot. Bonds8

About 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide

2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 121017001) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID121017001
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCSCCC(NC(C)=O)C(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C16H26N4O3S/c1-12(21)18-15(6-8-24-2)16(22)19-13-9-17-20(10-13)11-14-5-3-4-7-23-14/h9-10,14-15H,3-8,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUEIDZMHBDQNMHV-UHFFFAOYSA-N
XLogP1.65
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide 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 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide (CID 121017001) is 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide is CSCCC(NC(C)=O)C(=O)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is UEIDZMHBDQNMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12(21)18-15(6-8-24-2)16(22)19-13-9-17-20(10-13)11-14-5-3-4-7-23-14/h9-10,14-15H,3-8,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide?
2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 354.48 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methylsulfanyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 121017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.