4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C19H21F3N2O4S — CID 55550716

IUPAC4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O4S/c1-24(13-15-5-3-4-6-17(15)19(20,21)22)18(25)14-7-9-16(10-8-14)29(26,27)23-11-12-28-2/h3-10,23H,11-13H2,1-2H3
InChIKeyIFPWMDGGPZZGLL-UHFFFAOYSA-N
MW430.45 g/mol
LogP2.90
Rot. Bonds8

About 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 55550716) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID55550716
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O4S/c1-24(13-15-5-3-4-6-17(15)19(20,21)22)18(25)14-7-9-16(10-8-14)29(26,27)23-11-12-28-2/h3-10,23H,11-13H2,1-2H3
InChIKeyIFPWMDGGPZZGLL-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 38045289
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
N-[[4-(dimethylamino)phenyl]methyl]-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 35805338
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-methyl-4-(prop-2-ynylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38076715
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 25335554
N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide
CID 9372844
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 55579772
4-[[ethyl-[4-(2-methoxyethylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511941
4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047351

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 55550716) is 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is IFPWMDGGPZZGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-24(13-15-5-3-4-6-17(15)19(20,21)22)18(25)14-7-9-16(10-8-14)29(26,27)23-11-12-28-2/h3-10,23H,11-13H2,1-2H3.
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 430.45 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55550716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).