N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C24H30N4O4S — CID 55707293

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1
InChIInChI=1S/C24H30N4O4S/c1-17-5-10-22(33(30,31)26-13-14-32-4)16-23(17)24(29)25-12-11-20-6-8-21(9-7-20)28-19(3)15-18(2)27-28/h5-10,15-16,26H,11-14H2,1-4H3,(H,25,29)
InChIKeyPEUPLMURCDXWRD-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.69
Rot. Bonds10

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 55707293) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID55707293
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1
InChIInChI=1S/C24H30N4O4S/c1-17-5-10-22(33(30,31)26-13-14-32-4)16-23(17)24(29)25-12-11-20-6-8-21(9-7-20)28-19(3)15-18(2)27-28/h5-10,15-16,26H,11-14H2,1-4H3,(H,25,29)
InChIKeyPEUPLMURCDXWRD-UHFFFAOYSA-N
XLogP2.69
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
CID 55905205
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 46476583
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55707237
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 27645841
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46476246

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 55707293) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)c1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is PEUPLMURCDXWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-17-5-10-22(33(30,31)26-13-14-32-4)16-23(17)24(29)25-12-11-20-6-8-21(9-7-20)28-19(3)15-18(2)27-28/h5-10,15-16,26H,11-14H2,1-4H3,(H,25,29).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 470.60 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 55707293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).