N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide

C23H21FN4O2S — CID 168913947

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide
SMILESCC1=C(S(=O)c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2)NCN1
InChIInChI=1S/C23H21FN4O2S/c1-14-23(27-13-26-14)31(30)19-9-4-16(5-10-19)22(29)28-21-12-17(6-11-20(21)25)15-2-7-18(24)8-3-15/h2-12,26-27H,13,25H2,1H3,(H,28,29)
InChIKeyRHCDYJOZFPTRRU-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.77
Rot. Bonds5

About N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide (PubChem CID 168913947) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide
PubChem CID168913947
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide
SMILESCC1=C(S(=O)c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2)NCN1
InChIInChI=1S/C23H21FN4O2S/c1-14-23(27-13-26-14)31(30)19-9-4-16(5-10-19)22(29)28-21-12-17(6-11-20(21)25)15-2-7-18(24)8-3-15/h2-12,26-27H,13,25H2,1H3,(H,28,29)
InChIKeyRHCDYJOZFPTRRU-UHFFFAOYSA-N
XLogP3.77
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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]-6-methylsulfanylpyridine-3-carboxamide
CID 168913880
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(cyclopropylsulfonimidoyl)benzamide
CID 168792549
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-(N-ethyl-S-methylsulfonimidoyl)benzamide
CID 168792625
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[2-methyl-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610135
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-prop-1-en-2-yl-3-pyridinyl)sulfanyl]benzamide
CID 168913889
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzamide
CID 67962233
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]benzamide
CID 59610134
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(4-oxo-1H-pyridin-3-yl)sulfanyl]benzamide
CID 168913846
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide (CID 168913947) is N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide is CC1=C(S(=O)c2ccc(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)cc2)NCN1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide?
The InChIKey is RHCDYJOZFPTRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-14-23(27-13-26-14)31(30)19-9-4-16(5-10-19)22(29)28-21-12-17(6-11-20(21)25)15-2-7-18(24)8-3-15/h2-12,26-27H,13,25H2,1H3,(H,28,29).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)sulfinyl]benzamide is sourced from PubChem (CID 168913947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).