2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide

C16H22N4O4S — CID 112999052

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H22N4O4S/c1-10(2)24-14-8-6-5-7-13(14)18-15(21)9-17-25(22,23)16-11(3)19-20-12(16)4/h5-8,10,17H,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQKEKBKHEZBPVRD-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.73
Rot. Bonds7

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 112999052) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID112999052
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C16H22N4O4S/c1-10(2)24-14-8-6-5-7-13(14)18-15(21)9-17-25(22,23)16-11(3)19-20-12(16)4/h5-8,10,17H,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQKEKBKHEZBPVRD-UHFFFAOYSA-N
XLogP1.73
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 113001785
3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 61258324
2-(butylsulfonylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999026
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108572585
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
2-[2-methylpropyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113148565
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide (CID 112999052) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is QKEKBKHEZBPVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10(2)24-14-8-6-5-7-13(14)18-15(21)9-17-25(22,23)16-11(3)19-20-12(16)4/h5-8,10,17H,9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 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)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 112999052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).