4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

C19H25N3O4S2 — CID 24980274

IUPAC4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O4S2/c1-21(2)28(24,25)16-7-5-15(6-8-16)19(23)20-14-17(18-4-3-13-27-18)22-9-11-26-12-10-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,20,23)
InChIKeyFETHADAGYGLCMS-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.80
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 24980274) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID24980274
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O4S2/c1-21(2)28(24,25)16-7-5-15(6-8-16)19(23)20-14-17(18-4-3-13-27-18)22-9-11-26-12-10-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,20,23)
InChIKeyFETHADAGYGLCMS-UHFFFAOYSA-N
XLogP1.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.80
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-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide (CID 24980274) is 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is FETHADAGYGLCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-21(2)28(24,25)16-7-5-15(6-8-16)19(23)20-14-17(18-4-3-13-27-18)22-9-11-26-12-10-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide?
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 423.56 g/mol, XLogP of 1.80, 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-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24980274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).