2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide

C9H16N4O3S — CID 47268019

IUPAC2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-7(2)12-9(14)6-13(3)17(15,16)8-4-10-11-5-8/h4-5,7H,6H2,1-3H3,(H,10,11)(H,12,14)
InChIKeyIVAAPGJUCQWMPQ-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.45
Rot. Bonds5

About 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide

2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide (PubChem CID 47268019) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide
PubChem CID47268019
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H16N4O3S/c1-7(2)12-9(14)6-13(3)17(15,16)8-4-10-11-5-8/h4-5,7H,6H2,1-3H3,(H,10,11)(H,12,14)
InChIKeyIVAAPGJUCQWMPQ-UHFFFAOYSA-N
XLogP-0.45
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.45
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-butyl-2-(1H-pyrazol-5-ylsulfonylamino)acetamide
CID 70537397
N-cyclopropyl-2-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150461
N-ethyl-2-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 47177750
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide (CID 47268019) is 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide?
The InChIKey is IVAAPGJUCQWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-7(2)12-9(14)6-13(3)17(15,16)8-4-10-11-5-8/h4-5,7H,6H2,1-3H3,(H,10,11)(H,12,14).
What are the key properties of 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide?
2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide has a molecular weight of 260.32 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 47268019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).