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

C15H20N4O3S — CID 112996749

IUPACN-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)c2c(C)n[nH]c2C)c1C
InChIInChI=1S/C15H20N4O3S/c1-9-6-5-7-13(10(9)2)17-14(20)8-16-23(21,22)15-11(3)18-19-12(15)4/h5-7,16H,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyCKYMROZVSNFMAD-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.56
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide (PubChem CID 112996749) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
PubChem CID112996749
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CNS(=O)(=O)c2c(C)n[nH]c2C)c1C
InChIInChI=1S/C15H20N4O3S/c1-9-6-5-7-13(10(9)2)17-14(20)8-16-23(21,22)15-11(3)18-19-12(15)4/h5-7,16H,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyCKYMROZVSNFMAD-UHFFFAOYSA-N
XLogP1.56
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 112997690
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999052
ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 113001785
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
ethyl 4-[[2-(2,3-dimethylanilino)-2-oxoethyl]sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 22586129
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 9342508
N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
N-[[3-(aminomethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43589440

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide (CID 112996749) is N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide is Cc1cccc(NC(=O)CNS(=O)(=O)c2c(C)n[nH]c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide?
The InChIKey is CKYMROZVSNFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9-6-5-7-13(10(9)2)17-14(20)8-16-23(21,22)15-11(3)18-19-12(15)4/h5-7,16H,8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide has a molecular weight of 336.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 112996749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).