2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide

C8H14N4O3S — CID 47267534

IUPAC2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-3-12(6-8(13)9-2)16(14,15)7-4-10-11-5-7/h4-5H,3,6H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyAOWXKTBHCZKAOX-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.83
Rot. Bonds5

About 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide

2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide (PubChem CID 47267534) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide
PubChem CID47267534
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-3-12(6-8(13)9-2)16(14,15)7-4-10-11-5-7/h4-5H,3,6H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyAOWXKTBHCZKAOX-UHFFFAOYSA-N
XLogP-0.83
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47268119
N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60958755
2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61109755
N-methyl-2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 45822221
2-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]-N-methylacetamide
CID 45822405
N-ethyl-2-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 47177750
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267297
N-methyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267378
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267387
N-cyclopropyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267388
N-cyclopropyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
CID 47267399

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide (CID 47267534) is 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide?
The InChIKey is AOWXKTBHCZKAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-3-12(6-8(13)9-2)16(14,15)7-4-10-11-5-7/h4-5H,3,6H2,1-2H3,(H,9,13)(H,10,11).
What are the key properties of 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide?
2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide has a molecular weight of 246.29 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]-N-methylacetamide is sourced from PubChem (CID 47267534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).