N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide

C19H22FN3O4S — CID 46603735

IUPACN-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)ccc1F
InChIInChI=1S/C19H22FN3O4S/c1-12(24)21-17-11-14(7-10-16(17)20)22-18(25)13-5-8-15(9-6-13)28(26,27)23-19(2,3)4/h5-11,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyLIHYFGBVCXPQTE-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.11
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide

N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide (PubChem CID 46603735) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
PubChem CID46603735
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)ccc1F
InChIInChI=1S/C19H22FN3O4S/c1-12(24)21-17-11-14(7-10-16(17)20)22-18(25)13-5-8-15(9-6-13)28(26,27)23-19(2,3)4/h5-11,23H,1-4H3,(H,21,24)(H,22,25)
InChIKeyLIHYFGBVCXPQTE-UHFFFAOYSA-N
XLogP3.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
[4-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1311332
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
4-(tert-butylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 34682520
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide
CID 1306785
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide (CID 46603735) is N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide is CC(=O)Nc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide?
The InChIKey is LIHYFGBVCXPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-12(24)21-17-11-14(7-10-16(17)20)22-18(25)13-5-8-15(9-6-13)28(26,27)23-19(2,3)4/h5-11,23H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide?
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide is sourced from PubChem (CID 46603735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).