3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C22H25N3O4S — CID 24981861

IUPAC3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1
InChIInChI=1S/C22H25N3O4S/c1-25(2)20(21-12-7-13-29-21)16-23-22(26)18-10-6-11-19(14-18)30(27,28)24-15-17-8-4-3-5-9-17/h3-14,20,24H,15-16H2,1-2H3,(H,23,26)
InChIKeyQEHUFKSOFSGAJV-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.79
Rot. Bonds9

About 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 24981861) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID24981861
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1
InChIInChI=1S/C22H25N3O4S/c1-25(2)20(21-12-7-13-29-21)16-23-22(26)18-10-6-11-19(14-18)30(27,28)24-15-17-8-4-3-5-9-17/h3-14,20,24H,15-16H2,1-2H3,(H,23,26)
InChIKeyQEHUFKSOFSGAJV-UHFFFAOYSA-N
XLogP2.79
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 30260374
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
3-(benzylsulfamoyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 55454906
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679
N-[2-(dimethylamino)-2-phenylethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 43016489
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25374826

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 24981861) is 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CN(C)C(CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccco1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is QEHUFKSOFSGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-25(2)20(21-12-7-13-29-21)16-23-22(26)18-10-6-11-19(14-18)30(27,28)24-15-17-8-4-3-5-9-17/h3-14,20,24H,15-16H2,1-2H3,(H,23,26).
What are the key properties of 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 427.53 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 24981861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).