N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide

C22H22FN3O2S — CID 168792625

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
SMILESCCN=S(C)(=O)c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1
InChIInChI=1S/C22H22FN3O2S/c1-3-25-29(2,28)19-11-6-16(7-12-19)22(27)26-21-14-17(8-13-20(21)24)15-4-9-18(23)10-5-15/h4-14H,3,24H2,1-2H3,(H,26,27)
InChIKeyYCMCAYGVIZVTMV-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.80
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide (PubChem CID 168792625) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
PubChem CID168792625
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
SMILESCCN=S(C)(=O)c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1
InChIInChI=1S/C22H22FN3O2S/c1-3-25-29(2,28)19-11-6-16(7-12-19)22(27)26-21-14-17(8-13-20(21)24)15-4-9-18(23)10-5-15/h4-14H,3,24H2,1-2H3,(H,26,27)
InChIKeyYCMCAYGVIZVTMV-UHFFFAOYSA-N
XLogP4.80
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 167993671
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
CID 168913873
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
CID 168792549
N-[2-amino-5-(2,3,5,6-tetradeuterio-4-fluorophenyl)phenyl]-4-(methylsulfonimidoyl)benzamide
CID 168792492
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[6-(2-methoxyethoxymethyl)-3-pyridinyl]sulfonimidoyl]benzamide
CID 168792521
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(6-cyano-3-pyridinyl)sulfonimidoyl]benzamide
CID 168792410
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-ethynyl-3-pyridinyl)sulfonimidoyl]benzamide
CID 170184415
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(2-cyclopropylphenyl)sulfonimidoyl]benzamide
CID 170184405
N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(methylsulfonimidoyl)-1-benzothiophene-6-carboxamide
CID 168792222
N-[2-amino-5-(4-fluorophenyl)phenyl]-6-methylsulfanylpyridine-3-carboxamide
CID 168913880
N-[2-amino-5-(4-fluorophenyl)phenyl]-5-(methylsulfonimidoyl)-1-benzothiophene-2-carboxamide
CID 168792319
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[2-methyl-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610135

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide (CID 168792625) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide is CCN=S(C)(=O)c1ccc(C(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)cc1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide?
The InChIKey is YCMCAYGVIZVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-3-25-29(2,28)19-11-6-16(7-12-19)22(27)26-21-14-17(8-13-20(21)24)15-4-9-18(23)10-5-15/h4-14H,3,24H2,1-2H3,(H,26,27).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide is sourced from PubChem (CID 168792625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).