N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide

C8H14N4O3S — CID 47267387

IUPACN-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-6(2)12-8(13)5-11-16(14,15)7-3-9-10-4-7/h3-4,6,11H,5H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyRXVGHLFTVOWPGS-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.79
Rot. Bonds5

About N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide

N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide (PubChem CID 47267387) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
PubChem CID47267387
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c1-6(2)12-8(13)5-11-16(14,15)7-3-9-10-4-7/h3-4,6,11H,5H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyRXVGHLFTVOWPGS-UHFFFAOYSA-N
XLogP-0.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide (CID 47267387) is N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide is CC(C)NC(=O)CNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
The InChIKey is RXVGHLFTVOWPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-6(2)12-8(13)5-11-16(14,15)7-3-9-10-4-7/h3-4,6,11H,5H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide?
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide has a molecular weight of 246.29 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide is sourced from PubChem (CID 47267387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).