N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C22H22F3N3O4S — CID 24542683

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccco1
InChIInChI=1S/C22H22F3N3O4S/c1-28(2)19(20-7-4-12-32-20)14-26-21(29)15-8-10-18(11-9-15)33(30,31)27-17-6-3-5-16(13-17)22(23,24)25/h3-13,19,27H,14H2,1-2H3,(H,26,29)
InChIKeyNRSUJRVPANADNJ-UHFFFAOYSA-N
MW481.50 g/mol
LogP4.13
Rot. Bonds8

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 24542683) has the molecular formula C22H22F3N3O4S and a molecular weight of 481.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID24542683
Molecular FormulaC22H22F3N3O4S
Molecular Weight481.50 g/mol
Exact Mass481.13
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccco1
InChIInChI=1S/C22H22F3N3O4S/c1-28(2)19(20-7-4-12-32-20)14-26-21(29)15-8-10-18(11-9-15)33(30,31)27-17-6-3-5-16(13-17)22(23,24)25/h3-13,19,27H,14H2,1-2H3,(H,26,29)
InChIKeyNRSUJRVPANADNJ-UHFFFAOYSA-N
XLogP4.13
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 4803620
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25374826
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25353255
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 52599921
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55518843
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542679

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 24542683) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CN(C)C(CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is NRSUJRVPANADNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O4S/c1-28(2)19(20-7-4-12-32-20)14-26-21(29)15-8-10-18(11-9-15)33(30,31)27-17-6-3-5-16(13-17)22(23,24)25/h3-13,19,27H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 481.50 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 24542683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).