2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide

C14H24N4O4S — CID 167838137

IUPAC2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide
SMILESCCCC(NC(C)=O)C(=O)NS(=O)(=O)c1cn(C(C)C)nc1C
InChIInChI=1S/C14H24N4O4S/c1-6-7-12(15-11(5)19)14(20)17-23(21,22)13-8-18(9(2)3)16-10(13)4/h8-9,12H,6-7H2,1-5H3,(H,15,19)(H,17,20)
InChIKeyQIRZEHSQSVLTIM-UHFFFAOYSA-N
MW344.44 g/mol
LogP0.88
Rot. Bonds7

About 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide

2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide (PubChem CID 167838137) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide
PubChem CID167838137
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide
SMILESCCCC(NC(C)=O)C(=O)NS(=O)(=O)c1cn(C(C)C)nc1C
InChIInChI=1S/C14H24N4O4S/c1-6-7-12(15-11(5)19)14(20)17-23(21,22)13-8-18(9(2)3)16-10(13)4/h8-9,12H,6-7H2,1-5H3,(H,15,19)(H,17,20)
InChIKeyQIRZEHSQSVLTIM-UHFFFAOYSA-N
XLogP0.88
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide?
The IUPAC name of 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide (CID 167838137) is 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide.
What is the SMILES notation for 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide?
The canonical SMILES for 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide is CCCC(NC(C)=O)C(=O)NS(=O)(=O)c1cn(C(C)C)nc1C.
What is the InChIKey of 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide?
The InChIKey is QIRZEHSQSVLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-6-7-12(15-11(5)19)14(20)17-23(21,22)13-8-18(9(2)3)16-10(13)4/h8-9,12H,6-7H2,1-5H3,(H,15,19)(H,17,20).
What are the key properties of 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide?
2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide has a molecular weight of 344.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylpentanamide is sourced from PubChem (CID 167838137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).