4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide

C21H23N3O3S2 — CID 71781301

IUPAC4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CCc2cccs2)Cc2cccnc2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-23(2)29(26,27)20-9-7-18(8-10-20)21(25)24(13-11-19-6-4-14-28-19)16-17-5-3-12-22-15-17/h3-10,12,14-15H,11,13,16H2,1-2H3
InChIKeyFJIZPZHZTHETRQ-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.28
Rot. Bonds8

About 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide

4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 71781301) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID71781301
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N(CCc2cccs2)Cc2cccnc2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-23(2)29(26,27)20-9-7-18(8-10-20)21(25)24(13-11-19-6-4-14-28-19)16-17-5-3-12-22-15-17/h3-10,12,14-15H,11,13,16H2,1-2H3
InChIKeyFJIZPZHZTHETRQ-UHFFFAOYSA-N
XLogP3.28
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide (CID 71781301) is 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)N(CCc2cccs2)Cc2cccnc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is FJIZPZHZTHETRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-23(2)29(26,27)20-9-7-18(8-10-20)21(25)24(13-11-19-6-4-14-28-19)16-17-5-3-12-22-15-17/h3-10,12,14-15H,11,13,16H2,1-2H3.
What are the key properties of 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide?
4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 429.57 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 71781301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).