N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide

C9H16N4O3S — CID 70537397

IUPACN-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O3S/c1-2-3-5-10-8(14)7-12-17(15,16)9-4-6-11-13-9/h4,6,12H,2-3,5,7H2,1H3,(H,10,14)(H,11,13)
InChIKeyGJWROWKUDMJPDC-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.40
Rot. Bonds7

About N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide

N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide (PubChem CID 70537397) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
PubChem CID70537397
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
SMILESCCCCNC(=O)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H16N4O3S/c1-2-3-5-10-8(14)7-12-17(15,16)9-4-6-11-13-9/h4,6,12H,2-3,5,7H2,1H3,(H,10,14)(H,11,13)
InChIKeyGJWROWKUDMJPDC-UHFFFAOYSA-N
XLogP-0.40
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide?
The IUPAC name of N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide (CID 70537397) is N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide.
What is the SMILES notation for N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide?
The canonical SMILES for N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide is CCCCNC(=O)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide?
The InChIKey is GJWROWKUDMJPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-2-3-5-10-8(14)7-12-17(15,16)9-4-6-11-13-9/h4,6,12H,2-3,5,7H2,1H3,(H,10,14)(H,11,13).
What are the key properties of N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide?
N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide has a molecular weight of 260.32 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide is sourced from PubChem (CID 70537397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).