2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

C13H22N4O4S — CID 110335607

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C13H22N4O4S/c1-9-13(10(2)16-15-9)22(19,20)17(3)8-12(18)14-7-11-5-4-6-21-11/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyBEWGYHXXKNKSOM-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110335607) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110335607
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C13H22N4O4S/c1-9-13(10(2)16-15-9)22(19,20)17(3)8-12(18)14-7-11-5-4-6-21-11/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyBEWGYHXXKNKSOM-UHFFFAOYSA-N
XLogP-0.06
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
CID 110753063
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93060674
2-[methyl(6,7,8,9-tetrahydro-5H-carbazol-3-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 20910024
ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284021
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 78818567
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 50807919
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 125061925

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 110335607) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BEWGYHXXKNKSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-9-13(10(2)16-15-9)22(19,20)17(3)8-12(18)14-7-11-5-4-6-21-11/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110335607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).