N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide

C20H24FN3O4S — CID 17475869

IUPACN,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1C
InChIInChI=1S/C20H24FN3O4S/c1-4-24(5-2)29(27,28)18-13-16(9-6-14(18)3)20(26)23-22-19(25)12-15-7-10-17(21)11-8-15/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNOUQBHMMKCASJT-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.17
Rot. Bonds7

About N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide

N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide (PubChem CID 17475869) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
PubChem CID17475869
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1C
InChIInChI=1S/C20H24FN3O4S/c1-4-24(5-2)29(27,28)18-13-16(9-6-14(18)3)20(26)23-22-19(25)12-15-7-10-17(21)11-8-15/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyNOUQBHMMKCASJT-UHFFFAOYSA-N
XLogP2.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[[2-(4-chlorophenyl)acetyl]amino]carbamoyl]-N,N-diethyl-2-methylbenzenesulfonamide
CID 26657357
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26409898
3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 26010193
methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
CID 55609572
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide (CID 17475869) is N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)Cc2ccc(F)cc2)ccc1C.
What is the InChIKey of N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide?
The InChIKey is NOUQBHMMKCASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-4-24(5-2)29(27,28)18-13-16(9-6-14(18)3)20(26)23-22-19(25)12-15-7-10-17(21)11-8-15/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide?
N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide has a molecular weight of 421.49 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 17475869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).