N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

C24H33FN4O4S — CID 41297263

IUPACN-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C24H33FN4O4S/c1-7-29(8-2)34(32,33)19-13-14-21(28(5)6)20(15-19)26-24(31)22(16(3)4)27-23(30)17-9-11-18(25)12-10-17/h9-16,22H,7-8H2,1-6H3,(H,26,31)(H,27,30)/t22-/m1/s1
InChIKeyYDFXIELTOARGHN-JOCHJYFZSA-N
MW492.62 g/mol
LogP3.32
Rot. Bonds10

About N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (PubChem CID 41297263) has the molecular formula C24H33FN4O4S and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
PubChem CID41297263
Molecular FormulaC24H33FN4O4S
Molecular Weight492.62 g/mol
Exact Mass492.22
IUPAC NameN-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C24H33FN4O4S/c1-7-29(8-2)34(32,33)19-13-14-21(28(5)6)20(15-19)26-24(31)22(16(3)4)27-23(30)17-9-11-18(25)12-10-17/h9-16,22H,7-8H2,1-6H3,(H,26,31)(H,27,30)/t22-/m1/s1
InChIKeyYDFXIELTOARGHN-JOCHJYFZSA-N
XLogP3.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide 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-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
3-(diethylsulfamoyl)-N-[(2R)-1-(2,3-dimethylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2085095
3-(diethylsulfamoyl)-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2488897
N-[1-[4-(dimethylamino)-3,5-difluoroanilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55862542
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
4-fluoro-N-[(2S)-1-(2-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 24535614
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
N-[1-[3-(dimethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24635519
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
CID 30659892
N-[1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 4880570
N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
CID 25353442

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (CID 41297263) is N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The InChIKey is YDFXIELTOARGHN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33FN4O4S/c1-7-29(8-2)34(32,33)19-13-14-21(28(5)6)20(15-19)26-24(31)22(16(3)4)27-23(30)17-9-11-18(25)12-10-17/h9-16,22H,7-8H2,1-6H3,(H,26,31)(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide has a molecular weight of 492.62 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 41297263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).