2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide

C17H24N4O4S — CID 8010824

IUPAC2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H24N4O4S/c1-6-25-15-10-8-7-9-14(15)18-16(22)11-21-13(3)17(12(2)19-21)26(23,24)20(4)5/h7-10H,6,11H2,1-5H3,(H,18,22)
InChIKeyWZZURPOSFSTGFA-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.79
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 8010824) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID8010824
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C17H24N4O4S/c1-6-25-15-10-8-7-9-14(15)18-16(22)11-21-13(3)17(12(2)19-21)26(23,24)20(4)5/h7-10H,6,11H2,1-5H3,(H,18,22)
InChIKeyWZZURPOSFSTGFA-UHFFFAOYSA-N
XLogP1.79
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-formyl-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 43647204
N-(3-chloro-2-methylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanamide
CID 50794675
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
CID 8891296
1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366120
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
1-[2-(2-ethoxyanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366130
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522692
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 8010824) is 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is WZZURPOSFSTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-6-25-15-10-8-7-9-14(15)18-16(22)11-21-13(3)17(12(2)19-21)26(23,24)20(4)5/h7-10H,6,11H2,1-5H3,(H,18,22).
What are the key properties of 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 8010824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).