2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide

C9H16N4O3S — CID 47268115

IUPAC2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-2-3-4-13(7-9(10)14)17(15,16)8-5-11-12-6-8/h5-6H,2-4,7H2,1H3,(H2,10,14)(H,11,12)
InChIKeyRAXHSQPBEFWBRT-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.31
Rot. Bonds7

About 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide

2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide (PubChem CID 47268115) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
PubChem CID47268115
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-2-3-4-13(7-9(10)14)17(15,16)8-5-11-12-6-8/h5-6H,2-4,7H2,1H3,(H2,10,14)(H,11,12)
InChIKeyRAXHSQPBEFWBRT-UHFFFAOYSA-N
XLogP-0.31
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-tert-butylpyrrolidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 164629647
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
N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
CID 70537397
2-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]-N-methylacetamide
CID 45822405
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
N-cyclopropyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide
CID 47265885
N-propyl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267297
1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47267363
1-ethyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47267368
N-butyl-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267373
N,N-dibutyl-1H-pyrazole-4-sulfonamide
CID 47267375

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The IUPAC name of 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide (CID 47268115) is 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide.
What is the SMILES notation for 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The canonical SMILES for 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
The InChIKey is RAXHSQPBEFWBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-2-3-4-13(7-9(10)14)17(15,16)8-5-11-12-6-8/h5-6H,2-4,7H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide?
2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide has a molecular weight of 260.32 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(1H-pyrazol-4-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 47268115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).