2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C11H20N4O3S2 — CID 60999682

IUPAC2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H20N4O3S2/c1-3-20(17,18)15-10(4-5-19-2)11(16)12-6-9-7-13-14-8-9/h7-8,10,15H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyBDVDPATWSLKOMJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.09
Rot. Bonds9

About 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide

2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 60999682) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID60999682
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC Name2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H20N4O3S2/c1-3-20(17,18)15-10(4-5-19-2)11(16)12-6-9-7-13-14-8-9/h7-8,10,15H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyBDVDPATWSLKOMJ-UHFFFAOYSA-N
XLogP0.09
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)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-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 60999682) is 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is BDVDPATWSLKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-3-20(17,18)15-10(4-5-19-2)11(16)12-6-9-7-13-14-8-9/h7-8,10,15H,3-6H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 320.44 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-4-methylsulfanyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 60999682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).