N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide

C18H19F2N3O4S — CID 55845901

IUPACN-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2N3O4S/c1-23(2)28(26,27)14-6-3-12(4-7-14)10-21-17(24)11-22-18(25)15-8-5-13(19)9-16(15)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySSAUIYUUWHHDPU-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.26
Rot. Bonds7

About N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 55845901) has the molecular formula C18H19F2N3O4S and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID55845901
Molecular FormulaC18H19F2N3O4S
Molecular Weight411.43 g/mol
Exact Mass411.11
IUPAC NameN-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2N3O4S/c1-23(2)28(26,27)14-6-3-12(4-7-14)10-21-17(24)11-22-18(25)15-8-5-13(19)9-16(15)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySSAUIYUUWHHDPU-UHFFFAOYSA-N
XLogP1.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide 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-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55846935
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
CID 46434276
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 24595815
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108736020
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2,4-difluorobenzamide
CID 51120364
cyclopenta-1,3-diene;N-[2-(cyclopenta-1,4-dien-1-ylmethylamino)-2-oxoethyl]-2,4-difluorobenzamide;iron(2+)
CID 139239374
2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 47058348

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide (CID 55845901) is N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is SSAUIYUUWHHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O4S/c1-23(2)28(26,27)14-6-3-12(4-7-14)10-21-17(24)11-22-18(25)15-8-5-13(19)9-16(15)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 411.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 55845901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).