N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide

C19H22FN3O4S — CID 55948510

IUPACN-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H22FN3O4S/c1-13(14-6-10-17(11-7-14)28(26,27)23(2)3)22-18(24)12-21-19(25)15-4-8-16(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWEDOVXGOWGQAII-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 55948510) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID55948510
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC NameN-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H22FN3O4S/c1-13(14-6-10-17(11-7-14)28(26,27)23(2)3)22-18(24)12-21-19(25)15-4-8-16(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWEDOVXGOWGQAII-UHFFFAOYSA-N
XLogP1.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994917
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43891555
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide (CID 55948510) is N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide is CC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is WEDOVXGOWGQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-13(14-6-10-17(11-7-14)28(26,27)23(2)3)22-18(24)12-21-19(25)15-4-8-16(20)9-5-15/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 407.47 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 55948510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).