4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

C20H24N4O3S2 — CID 122265187

IUPAC4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1
InChIInChI=1S/C20H24N4O3S2/c1-3-23(4-2)29(26,27)17-10-8-16(9-11-17)20(25)21-15-18(19-7-5-14-28-19)24-13-6-12-22-24/h5-14,18H,3-4,15H2,1-2H3,(H,21,25)
InChIKeyBLHZGIFJFFVIPP-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.99
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide

4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 122265187) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID122265187
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC Name4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1
InChIInChI=1S/C20H24N4O3S2/c1-3-23(4-2)29(26,27)17-10-8-16(9-11-17)20(25)21-15-18(19-7-5-14-28-19)24-13-6-12-22-24/h5-14,18H,3-4,15H2,1-2H3,(H,21,25)
InChIKeyBLHZGIFJFFVIPP-UHFFFAOYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265088
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
2,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265068
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265215
3,5-dimethyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 119102039
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide (CID 122265187) is 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)n2cccn2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is BLHZGIFJFFVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-3-23(4-2)29(26,27)17-10-8-16(9-11-17)20(25)21-15-18(19-7-5-14-28-19)24-13-6-12-22-24/h5-14,18H,3-4,15H2,1-2H3,(H,21,25).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide?
4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 432.57 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 122265187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).