3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide

C21H22N2O3S2 — CID 55469920

IUPAC3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-3-23(4-2)28(25,26)17-10-7-9-16(15-17)21(24)22-19-12-6-5-11-18(19)20-13-8-14-27-20/h5-15H,3-4H2,1-2H3,(H,22,24)
InChIKeyNVRVCOPKKKFUIM-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.70
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide

3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide (PubChem CID 55469920) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
PubChem CID55469920
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-3-23(4-2)28(25,26)17-10-7-9-16(15-17)21(24)22-19-12-6-5-11-18(19)20-13-8-14-27-20/h5-15H,3-4H2,1-2H3,(H,22,24)
InChIKeyNVRVCOPKKKFUIM-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
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CID 4003550
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
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N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 25494413
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide (CID 55469920) is 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cccs2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
The InChIKey is NVRVCOPKKKFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-3-23(4-2)28(25,26)17-10-7-9-16(15-17)21(24)22-19-12-6-5-11-18(19)20-13-8-14-27-20/h5-15H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide?
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 55469920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).