3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C19H21F3N2O4S — CID 112764009

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H21F3N2O4S/c1-12(13-6-5-7-15(10-13)19(20,21)22)23-18(25)14-8-9-16(28-4)17(11-14)29(26,27)24(2)3/h5-12H,1-4H3,(H,23,25)
InChIKeyBUVFIBVZDZSJAZ-UHFFFAOYSA-N
MW430.45 g/mol
LogP3.46
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 112764009) has the molecular formula C19H21F3N2O4S and a molecular weight of 430.45 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID112764009
Molecular FormulaC19H21F3N2O4S
Molecular Weight430.45 g/mol
Exact Mass430.12
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H21F3N2O4S/c1-12(13-6-5-7-15(10-13)19(20,21)22)23-18(25)14-8-9-16(28-4)17(11-14)29(26,27)24(2)3/h5-12H,1-4H3,(H,23,25)
InChIKeyBUVFIBVZDZSJAZ-UHFFFAOYSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 28557745
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 134028925
3-(dimethylsulfamoyl)-4-methoxy-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55876850
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764022
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 9116458
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 112764009) is 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2cccc(C(F)(F)F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is BUVFIBVZDZSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4S/c1-12(13-6-5-7-15(10-13)19(20,21)22)23-18(25)14-8-9-16(28-4)17(11-14)29(26,27)24(2)3/h5-12H,1-4H3,(H,23,25).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 430.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 112764009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).