N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C22H27FN4O3S2 — CID 55976570

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H27FN4O3S2/c1-26(21(28)16-27(2)32(29,30)22-11-7-13-31-22)12-5-3-4-10-19-15-20(25-24-19)17-8-6-9-18(23)14-17/h6-9,11,13-15H,3-5,10,12,16H2,1-2H3,(H,24,25)
InChIKeyLEBUFLJPJZDDTL-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.77
Rot. Bonds11

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 55976570) has the molecular formula C22H27FN4O3S2 and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID55976570
Molecular FormulaC22H27FN4O3S2
Molecular Weight478.62 g/mol
Exact Mass478.15
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H27FN4O3S2/c1-26(21(28)16-27(2)32(29,30)22-11-7-13-31-22)12-5-3-4-10-19-15-20(25-24-19)17-8-6-9-18(23)14-17/h6-9,11,13-15H,3-5,10,12,16H2,1-2H3,(H,24,25)
InChIKeyLEBUFLJPJZDDTL-UHFFFAOYSA-N
XLogP3.77
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)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

Related Compounds

CID 20910800
CID 20910800
CID 5307135
CID 5307135
CID 145962083
CID 145962083
CID 20947530
CID 20947530
CID 110200912
CID 110200912
CID 110201796
CID 110201796
CID 20947468
CID 20947468
CID 20947506
CID 20947506
CID 20947534
CID 20947534
CID 20947535
CID 20947535
CID 20947536
CID 20947536
CID 20947561
CID 20947561

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 55976570) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is LEBUFLJPJZDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S2/c1-26(21(28)16-27(2)32(29,30)22-11-7-13-31-22)12-5-3-4-10-19-15-20(25-24-19)17-8-6-9-18(23)14-17/h6-9,11,13-15H,3-5,10,12,16H2,1-2H3,(H,24,25).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 478.62 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 55976570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).