4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

C19H22N4O3S2 — CID 86266254

IUPAC4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H22N4O3S2/c1-14-13-17(18-5-4-12-27-18)21-23(14)11-10-20-19(24)15-6-8-16(9-7-15)28(25,26)22(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)
InChIKeyXLRFCLAAAQNYSA-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.60
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 86266254) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID86266254
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H22N4O3S2/c1-14-13-17(18-5-4-12-27-18)21-23(14)11-10-20-19(24)15-6-8-16(9-7-15)28(25,26)22(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,20,24)
InChIKeyXLRFCLAAAQNYSA-UHFFFAOYSA-N
XLogP2.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 86266254) is 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is XLRFCLAAAQNYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-14-13-17(18-5-4-12-27-18)21-23(14)11-10-20-19(24)15-6-8-16(9-7-15)28(25,26)22(2)3/h4-9,12-13H,10-11H2,1-3H3,(H,20,24).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 86266254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).