N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C20H22N4O4S — CID 16621818

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H22N4O4S/c1-23(2)29(26,27)17-9-10-19(28-3)18(12-17)22-20(25)11-15-13-21-24(14-15)16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H,22,25)
InChIKeyZKBBYGCVGKOJLX-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.31
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16621818) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16621818
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H22N4O4S/c1-23(2)29(26,27)17-9-10-19(28-3)18(12-17)22-20(25)11-15-13-21-24(14-15)16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H,22,25)
InChIKeyZKBBYGCVGKOJLX-UHFFFAOYSA-N
XLogP2.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55471999
N-[2,5-dimethoxy-4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614506
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614522
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337
1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide
CID 27133783
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 16621818) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is ZKBBYGCVGKOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-23(2)29(26,27)17-9-10-19(28-3)18(12-17)22-20(25)11-15-13-21-24(14-15)16-7-5-4-6-8-16/h4-10,12-14H,11H2,1-3H3,(H,22,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16621818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).