benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide

C17H26N4O3S — CID 68895013

IUPACbenzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.c1ccccc1
InChIInChI=1S/C11H20N4O3S.C6H6/c1-7(15-19(5,17)18)10(16)12-9-6-8(13-14-9)11(2,3)4;1-2-4-6-5-3-1/h6-7,15H,1-5H3,(H2,12,13,14,16);1-6H
InChIKeyHQWSTWQYOJEZOG-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.27
Rot. Bonds4

About benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide

benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide (PubChem CID 68895013) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound Namebenzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
PubChem CID68895013
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Namebenzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.c1ccccc1
InChIInChI=1S/C11H20N4O3S.C6H6/c1-7(15-19(5,17)18)10(16)12-9-6-8(13-14-9)11(2,3)4;1-2-4-6-5-3-1/h6-7,15H,1-5H3,(H2,12,13,14,16);1-6H
InChIKeyHQWSTWQYOJEZOG-UHFFFAOYSA-N
XLogP2.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide 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 benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
The IUPAC name of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide (CID 68895013) is benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide.
What is the SMILES notation for benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
The canonical SMILES for benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.c1ccccc1.
What is the InChIKey of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
The InChIKey is HQWSTWQYOJEZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S.C6H6/c1-7(15-19(5,17)18)10(16)12-9-6-8(13-14-9)11(2,3)4;1-2-4-6-5-3-1/h6-7,15H,1-5H3,(H2,12,13,14,16);1-6H.
What are the key properties of benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide?
benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide has a molecular weight of 366.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 68895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).