3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

C23H22N2O3S2 — CID 30594167

IUPAC3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1
InChIInChI=1S/C23H22N2O3S2/c1-3-25(4-2)30(27,28)22-12-6-9-19(17-22)23(26)24-20-10-5-8-18(16-20)13-14-21-11-7-15-29-21/h5-12,15-17H,3-4H2,1-2H3,(H,24,26)
InChIKeyCAHCZEHAFGKRKB-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.43
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide (PubChem CID 30594167) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
PubChem CID30594167
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC Name3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1
InChIInChI=1S/C23H22N2O3S2/c1-3-25(4-2)30(27,28)22-12-6-9-19(17-22)23(26)24-20-10-5-8-18(16-20)13-14-21-11-7-15-29-21/h5-12,15-17H,3-4H2,1-2H3,(H,24,26)
InChIKeyCAHCZEHAFGKRKB-UHFFFAOYSA-N
XLogP4.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594161
4-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 35230362
N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30395696
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30694090
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
tert-butyl N-[[3-[[3-(diethylsulfamoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 55647421
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide (CID 30594167) is 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide?
The InChIKey is CAHCZEHAFGKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-3-25(4-2)30(27,28)22-12-6-9-19(17-22)23(26)24-20-10-5-8-18(16-20)13-14-21-11-7-15-29-21/h5-12,15-17H,3-4H2,1-2H3,(H,24,26).
What are the key properties of 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide?
3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide is sourced from PubChem (CID 30594167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).