N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C19H22FN3O4S — CID 55551658

IUPACN-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1
InChIInChI=1S/C19H22FN3O4S/c1-12(2)23(4)28(26,27)16-8-5-14(6-9-16)19(25)22-18-11-15(21-13(3)24)7-10-17(18)20/h5-12H,1-4H3,(H,21,24)(H,22,25)
InChIKeyATWAROJXZYEGLN-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.07
Rot. Bonds6

About N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55551658) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55551658
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1
InChIInChI=1S/C19H22FN3O4S/c1-12(2)23(4)28(26,27)16-8-5-14(6-9-16)19(25)22-18-11-15(21-13(3)24)7-10-17(18)20/h5-12H,1-4H3,(H,21,24)(H,22,25)
InChIKeyATWAROJXZYEGLN-UHFFFAOYSA-N
XLogP3.07
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314975
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55956166
N-(1,3-dioxoisoindol-5-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993145
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 110776363

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55551658) is N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is ATWAROJXZYEGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-12(2)23(4)28(26,27)16-8-5-14(6-9-16)19(25)22-18-11-15(21-13(3)24)7-10-17(18)20/h5-12H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55551658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).