N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C23H22N4O3S2 — CID 24548688

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H22N4O3S2/c1-26(32(29,30)22-13-8-14-31-22)17-21(28)24-15-19-16-27(20-11-6-3-7-12-20)25-23(19)18-9-4-2-5-10-18/h2-14,16H,15,17H2,1H3,(H,24,28)
InChIKeyQBEBIRLQULCXEH-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.54
Rot. Bonds8

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 24548688) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID24548688
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C23H22N4O3S2/c1-26(32(29,30)22-13-8-14-31-22)17-21(28)24-15-19-16-27(20-11-6-3-7-12-20)25-23(19)18-9-4-2-5-10-18/h2-14,16H,15,17H2,1H3,(H,24,28)
InChIKeyQBEBIRLQULCXEH-UHFFFAOYSA-N
XLogP3.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24504139
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24548715
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56585871
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18230583
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 24548688) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is QBEBIRLQULCXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-26(32(29,30)22-13-8-14-31-22)17-21(28)24-15-19-16-27(20-11-6-3-7-12-20)25-23(19)18-9-4-2-5-10-18/h2-14,16H,15,17H2,1H3,(H,24,28).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 466.59 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 24548688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).