3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide

C21H27FN2O4S — CID 95782737

IUPAC3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H27FN2O4S/c1-14(2)18(12-15-6-9-17(22)10-7-15)23-21(25)16-8-11-19(28-5)20(13-16)29(26,27)24(3)4/h6-11,13-14,18H,12H2,1-5H3,(H,23,25)/t18-/m0/s1
InChIKeyVOXTVAPLOUMEJX-SFHVURJKSA-N
MW422.52 g/mol
LogP3.08
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide

3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide (PubChem CID 95782737) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide
PubChem CID95782737
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H27FN2O4S/c1-14(2)18(12-15-6-9-17(22)10-7-15)23-21(25)16-8-11-19(28-5)20(13-16)29(26,27)24(3)4/h6-11,13-14,18H,12H2,1-5H3,(H,23,25)/t18-/m0/s1
InChIKeyVOXTVAPLOUMEJX-SFHVURJKSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide 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-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]propanoic acid
CID 119370205
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 24600978
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 71934225
3-(dimethylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methoxybenzamide
CID 120650659
(E)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]hex-4-enoic acid
CID 120693885

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide (CID 95782737) is 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide?
The InChIKey is VOXTVAPLOUMEJX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-14(2)18(12-15-6-9-17(22)10-7-15)23-21(25)16-8-11-19(28-5)20(13-16)29(26,27)24(3)4/h6-11,13-14,18H,12H2,1-5H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide?
3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide has a molecular weight of 422.52 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 95782737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).